REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2q9f_1_A DATA FIRST_RESID 59 DATA SEQUENCE VLQDVFLDWA KKYGPVVRVN VFHKTSVIVT SPESVKKFLM STKYNKDSKM DATA SEQUENCE YRALQTVFGE RLFGQGLVSE CNYERWHKQR RVIDLAFSRS SLVSLMETFN DATA SEQUENCE EKAEQLVEIL EAKADGQTPV SMQDMLTYTA MDILAKAAFG METSMLLGAQ DATA SEQUENCE KPLSQAVKLM LEGITASRNT LAKFLPGKRK QLREVRESIR FLRQVGRDWV DATA SEQUENCE QRRREALKRG EEVPADILTQ ILKAEEGAQD DEGLLDNFVT FFIAGHETSA DATA SEQUENCE NHLAFTVMEL SRQPEIVARL QAEVDEVIGS KRYLDFEDLG RLQYLSQVLK DATA SEQUENCE ESLRLYPPAW GTFRLLEEET LIDGVRVPGN TPLLFSTYVM GRMDTYFEDP DATA SEQUENCE LTFNPDRFGP GAPKPRFTYF PFSLGHRSCI GQQFAQMEVK VVMAKLLQRL DATA SEQUENCE EFRLVPGQRF GLQEQATLKP LDPVLCTLRP RGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 59 V HA 0.000 nan 4.120 nan 0.000 0.244 59 V C 0.000 175.834 176.094 -0.433 0.000 1.182 59 V CA 0.000 62.121 62.300 -0.298 0.000 1.235 59 V CB 0.000 31.677 31.823 -0.244 0.000 1.184 60 L N 4.213 125.107 121.223 -0.549 0.000 2.042 60 L HA -0.135 4.201 4.340 -0.006 0.000 0.210 60 L C 2.317 178.559 176.870 -1.047 0.000 1.076 60 L CA 2.363 56.734 54.840 -0.783 0.000 0.749 60 L CB -0.237 41.367 42.059 -0.758 0.000 0.893 60 L HN 0.829 nan 8.230 nan 0.000 0.432 61 Q N -0.242 118.997 119.800 -0.935 0.000 2.181 61 Q HA -0.199 4.138 4.340 -0.006 0.000 0.205 61 Q C 1.933 177.732 176.000 -0.335 0.000 0.980 61 Q CA 1.808 57.156 55.803 -0.758 0.000 0.862 61 Q CB -0.471 27.556 28.738 -1.186 0.000 0.905 61 Q HN 0.546 nan 8.270 nan 0.000 0.429 62 D N -0.820 119.396 120.400 -0.307 0.000 2.183 62 D HA -0.076 4.560 4.640 -0.006 0.000 0.203 62 D C 1.789 177.943 176.300 -0.243 0.000 0.969 62 D CA 0.690 54.620 54.000 -0.117 0.000 0.842 62 D CB 0.060 40.805 40.800 -0.092 0.000 0.957 62 D HN 0.090 nan 8.370 nan 0.000 0.484 63 V N 1.136 120.768 119.914 -0.471 0.000 2.343 63 V HA -0.234 3.882 4.120 -0.006 0.000 0.247 63 V C 2.215 177.863 176.094 -0.743 0.000 1.051 63 V CA 1.195 63.058 62.300 -0.729 0.000 1.036 63 V CB -0.557 30.704 31.823 -0.936 0.000 0.654 63 V HN 0.048 nan 8.190 nan 0.000 0.451 64 F N -0.338 119.322 119.950 -0.484 0.000 2.134 64 F HA -0.145 4.380 4.527 -0.004 0.000 0.299 64 F C 2.152 177.945 175.800 -0.011 0.000 1.097 64 F CA 1.135 59.028 58.000 -0.179 0.000 1.264 64 F CB -1.327 37.672 39.000 -0.002 0.000 1.001 64 F HN 0.133 nan 8.300 nan 0.000 0.479 65 L N 0.605 121.939 121.223 0.185 0.000 2.012 65 L HA -0.226 4.110 4.340 -0.006 0.000 0.210 65 L C 2.028 178.963 176.870 0.107 0.000 1.073 65 L CA 1.983 56.916 54.840 0.155 0.000 0.748 65 L CB -1.109 41.024 42.059 0.122 0.000 0.891 65 L HN -0.019 nan 8.230 nan 0.000 0.431 66 D N -0.906 119.507 120.400 0.023 0.000 2.116 66 D HA -0.246 4.390 4.640 -0.006 0.000 0.193 66 D C 2.012 178.457 176.300 0.241 0.000 0.998 66 D CA 1.643 55.674 54.000 0.053 0.000 0.836 66 D CB -0.430 40.350 40.800 -0.034 0.000 0.951 66 D HN 0.471 nan 8.370 nan 0.000 0.449 67 W N 1.275 122.693 121.300 0.197 0.000 2.358 67 W HA 0.075 4.731 4.660 -0.007 0.000 0.303 67 W C 2.601 179.261 176.519 0.235 0.000 1.208 67 W CA 0.502 58.028 57.345 0.302 0.000 1.274 67 W CB -1.373 28.278 29.460 0.318 0.000 1.138 67 W HN -0.031 nan 8.180 nan 0.000 0.515 68 A N 0.583 123.634 122.820 0.386 0.000 1.933 68 A HA -0.218 4.098 4.320 -0.006 0.000 0.218 68 A C 2.059 179.738 177.584 0.159 0.000 1.175 68 A CA 2.028 54.216 52.037 0.252 0.000 0.628 68 A CB -0.664 18.467 19.000 0.219 0.000 0.814 68 A HN 0.297 nan 8.150 nan 0.000 0.444 69 K N -0.671 119.799 120.400 0.115 0.000 2.097 69 K HA -0.098 4.218 4.320 -0.006 0.000 0.205 69 K C 2.189 178.769 176.600 -0.034 0.000 1.050 69 K CA 1.559 57.861 56.287 0.025 0.000 0.938 69 K CB -0.078 32.425 32.500 0.005 0.000 0.718 69 K HN 0.493 nan 8.250 nan 0.000 0.442 70 K N -0.290 120.060 120.400 -0.083 0.000 2.166 70 K HA -0.042 4.274 4.320 -0.006 0.000 0.201 70 K C 0.813 177.140 176.600 -0.455 0.000 1.052 70 K CA 0.938 57.011 56.287 -0.356 0.000 0.969 70 K CB 0.301 32.441 32.500 -0.600 0.000 0.761 70 K HN 0.081 nan 8.250 nan 0.000 0.459 71 Y N -0.394 119.952 120.300 0.076 0.000 2.481 71 Y HA 0.346 4.892 4.550 -0.007 0.000 0.247 71 Y C 0.580 176.501 175.900 0.034 0.000 1.151 71 Y CA 0.099 58.220 58.100 0.035 0.000 1.238 71 Y CB 1.507 39.968 38.460 0.001 0.000 1.179 71 Y HN 0.230 nan 8.280 nan 0.000 0.524 72 G N 0.943 109.832 108.800 0.149 0.000 2.462 72 G HA2 -0.135 3.821 3.960 -0.006 0.000 0.685 72 G HA3 -0.135 3.821 3.960 -0.006 0.000 0.685 72 G C -2.210 172.762 174.900 0.119 0.000 1.295 72 G CA -0.501 44.663 45.100 0.107 0.000 0.941 72 G HN -0.100 nan 8.290 nan 0.000 0.554 73 P HA 0.168 nan 4.420 nan 0.000 0.237 73 P C 0.307 177.656 177.300 0.081 0.000 1.178 73 P CA 0.888 64.060 63.100 0.119 0.000 0.766 73 P CB 0.324 32.101 31.700 0.128 0.000 0.876 74 V N 1.124 121.073 119.914 0.058 0.000 2.447 74 V HA 0.266 4.382 4.120 -0.006 0.000 0.292 74 V C -0.260 175.836 176.094 0.004 0.000 1.021 74 V CA -0.687 61.619 62.300 0.011 0.000 0.850 74 V CB 2.370 34.194 31.823 0.000 0.000 1.005 74 V HN -0.268 nan 8.190 nan 0.000 0.426 75 V N 4.786 124.691 119.914 -0.015 0.000 2.577 75 V HA 0.500 4.616 4.120 -0.006 0.000 0.303 75 V C 0.144 176.191 176.094 -0.077 0.000 1.042 75 V CA -0.866 61.418 62.300 -0.027 0.000 0.872 75 V CB 2.061 33.922 31.823 0.064 0.000 0.998 75 V HN 0.856 nan 8.190 nan 0.000 0.423 76 R N 3.169 123.595 120.500 -0.122 0.000 2.442 76 R HA 0.570 4.906 4.340 -0.006 0.000 0.291 76 R C -0.490 175.733 176.300 -0.128 0.000 1.069 76 R CA -0.114 55.914 56.100 -0.119 0.000 1.022 76 R CB 1.087 31.307 30.300 -0.133 0.000 0.976 76 R HN 0.727 nan 8.270 nan 0.000 0.443 77 V N 1.374 121.253 119.914 -0.059 0.000 3.001 77 V HA 0.520 4.637 4.120 -0.006 0.000 0.314 77 V C -0.400 175.692 176.094 -0.003 0.000 1.099 77 V CA -0.870 61.426 62.300 -0.006 0.000 0.989 77 V CB 2.433 34.306 31.823 0.083 0.000 1.040 77 V HN 0.838 nan 8.190 nan 0.000 0.434 78 N N 0.621 119.322 118.700 0.002 0.000 2.184 78 N HA 0.112 4.848 4.740 -0.006 0.000 0.234 78 N C 1.109 176.605 175.510 -0.023 0.000 1.282 78 N CA 0.904 53.947 53.050 -0.013 0.000 0.877 78 N CB 1.502 39.972 38.487 -0.028 0.000 1.184 78 N HN 0.836 nan 8.380 nan 0.000 0.510 79 V N -2.343 117.508 119.914 -0.105 0.000 3.129 79 V HA 0.311 4.427 4.120 -0.006 0.000 0.259 79 V C 0.786 176.747 176.094 -0.221 0.000 1.116 79 V CA 0.552 62.737 62.300 -0.192 0.000 1.127 79 V CB -0.811 30.843 31.823 -0.281 0.000 0.742 79 V HN -0.123 nan 8.190 nan 0.000 0.474 80 F N 1.186 121.214 119.950 0.129 0.000 2.461 80 F HA 0.476 4.998 4.527 -0.007 0.000 0.337 80 F C 2.167 177.978 175.800 0.019 0.000 1.079 80 F CA -0.341 57.713 58.000 0.090 0.000 1.032 80 F CB 0.338 39.370 39.000 0.054 0.000 1.327 80 F HN 0.078 nan 8.300 nan 0.000 0.491 81 H N 0.037 119.230 119.070 0.204 0.000 2.495 81 H HA 0.085 4.638 4.556 -0.006 0.000 0.287 81 H C -0.022 175.341 175.328 0.059 0.000 1.033 81 H CA 0.728 56.829 56.048 0.089 0.000 1.307 81 H CB 0.148 29.939 29.762 0.048 0.000 1.401 81 H HN 0.401 nan 8.280 nan 0.000 0.555 82 K N 1.427 121.452 120.400 -0.626 0.000 2.316 82 K HA 0.233 4.549 4.320 -0.006 0.000 0.251 82 K C -0.739 175.754 176.600 -0.179 0.000 0.934 82 K CA -0.656 55.367 56.287 -0.440 0.000 0.802 82 K CB 2.004 34.106 32.500 -0.664 0.000 1.171 82 K HN -0.058 nan 8.250 nan 0.000 0.426 83 T N 2.127 116.622 114.554 -0.099 0.000 2.934 83 T HA 0.075 4.421 4.350 -0.006 0.000 0.306 83 T C -0.039 174.639 174.700 -0.036 0.000 1.042 83 T CA 0.081 62.154 62.100 -0.045 0.000 1.145 83 T CB 0.389 69.228 68.868 -0.050 0.000 0.982 83 T HN 0.707 nan 8.240 nan 0.000 0.544 84 S N 1.334 117.048 115.700 0.023 0.000 2.732 84 S HA 0.818 5.285 4.470 -0.006 0.000 0.293 84 S C -1.097 173.504 174.600 0.001 0.000 1.159 84 S CA -0.897 57.327 58.200 0.039 0.000 0.847 84 S CB 1.564 64.883 63.200 0.199 0.000 1.169 84 S HN 0.443 nan 8.310 nan 0.000 0.501 85 V N 1.245 121.133 119.914 -0.044 0.000 2.709 85 V HA 0.524 4.640 4.120 -0.006 0.000 0.308 85 V C -0.764 175.223 176.094 -0.178 0.000 1.062 85 V CA -0.734 61.502 62.300 -0.106 0.000 0.901 85 V CB 1.718 33.460 31.823 -0.136 0.000 1.003 85 V HN 0.933 nan 8.190 nan 0.000 0.425 86 I N 5.095 125.557 120.570 -0.179 0.000 2.331 86 I HA 0.570 4.736 4.170 -0.006 0.000 0.292 86 I C -0.990 175.009 176.117 -0.195 0.000 0.998 86 I CA -0.276 60.880 61.300 -0.239 0.000 1.267 86 I CB 1.266 39.110 38.000 -0.260 0.000 1.386 86 I HN 0.388 nan 8.210 nan 0.000 0.476 87 V N 6.281 126.010 119.914 -0.309 0.000 2.378 87 V HA 0.323 4.439 4.120 -0.006 0.000 0.288 87 V C 0.564 176.650 176.094 -0.014 0.000 1.016 87 V CA -0.282 61.896 62.300 -0.204 0.000 0.840 87 V CB 1.398 32.958 31.823 -0.438 0.000 0.994 87 V HN 0.853 nan 8.190 nan 0.000 0.431 88 T N -0.886 113.738 114.554 0.118 0.000 3.288 88 T HA 0.198 4.544 4.350 -0.006 0.000 0.293 88 T C 0.413 175.278 174.700 0.275 0.000 1.008 88 T CA 0.096 62.335 62.100 0.232 0.000 0.929 88 T CB 0.182 69.204 68.868 0.256 0.000 1.152 88 T HN 0.651 nan 8.240 nan 0.000 0.517 89 S N 0.999 116.829 115.700 0.216 0.000 2.585 89 S HA 0.519 4.985 4.470 -0.006 0.000 0.277 89 S C -2.062 172.599 174.600 0.101 0.000 1.241 89 S CA -1.285 57.029 58.200 0.190 0.000 1.041 89 S CB 1.773 65.064 63.200 0.151 0.000 0.987 89 S HN -0.092 nan 8.310 nan 0.000 0.512 90 P HA -0.039 nan 4.420 nan 0.000 0.220 90 P C 0.792 178.059 177.300 -0.056 0.000 1.148 90 P CA 1.034 64.129 63.100 -0.008 0.000 0.803 90 P CB 0.065 31.744 31.700 -0.036 0.000 0.782 91 E N -0.935 119.235 120.200 -0.050 0.000 2.107 91 E HA -0.078 4.269 4.350 -0.006 0.000 0.191 91 E C 2.068 178.580 176.600 -0.148 0.000 0.982 91 E CA 1.169 57.489 56.400 -0.134 0.000 0.809 91 E CB -0.949 28.706 29.700 -0.075 0.000 0.756 91 E HN 0.150 nan 8.360 nan 0.000 0.459 92 S N 0.053 115.757 115.700 0.007 0.000 2.383 92 S HA -0.109 4.357 4.470 -0.006 0.000 0.227 92 S C 2.126 176.816 174.600 0.150 0.000 1.026 92 S CA 0.835 59.124 58.200 0.148 0.000 0.981 92 S CB -0.247 63.167 63.200 0.358 0.000 0.818 92 S HN 0.048 nan 8.310 nan 0.000 0.472 93 V N 2.384 122.334 119.914 0.058 0.000 2.252 93 V HA -0.273 3.843 4.120 -0.006 0.000 0.249 93 V C 2.467 178.301 176.094 -0.432 0.000 1.056 93 V CA 2.113 64.283 62.300 -0.217 0.000 1.022 93 V CB -0.598 31.143 31.823 -0.137 0.000 0.641 93 V HN 0.476 nan 8.190 nan 0.000 0.445 94 K N 0.373 120.406 120.400 -0.611 0.000 2.032 94 K HA -0.287 4.029 4.320 -0.006 0.000 0.209 94 K C 2.316 178.593 176.600 -0.539 0.000 1.048 94 K CA 2.267 57.989 56.287 -0.942 0.000 0.927 94 K CB -0.248 31.378 32.500 -1.458 0.000 0.712 94 K HN 0.429 nan 8.250 nan 0.000 0.441 95 K N -0.446 119.664 120.400 -0.483 0.000 2.032 95 K HA -0.159 4.157 4.320 -0.006 0.000 0.209 95 K C 1.859 178.135 176.600 -0.541 0.000 1.048 95 K CA 1.867 57.838 56.287 -0.527 0.000 0.927 95 K CB -0.163 31.895 32.500 -0.736 0.000 0.712 95 K HN 0.112 nan 8.250 nan 0.000 0.441 96 F N 0.676 120.409 119.950 -0.362 0.000 2.335 96 F HA 0.077 4.600 4.527 -0.006 0.000 0.296 96 F C 1.847 177.451 175.800 -0.327 0.000 1.091 96 F CA 0.533 58.251 58.000 -0.470 0.000 1.399 96 F CB 0.011 38.691 39.000 -0.534 0.000 1.067 96 F HN -0.054 nan 8.300 nan 0.000 0.520 97 L N -0.944 120.083 121.223 -0.325 0.000 2.307 97 L HA -0.005 4.331 4.340 -0.006 0.000 0.211 97 L C 1.638 178.448 176.870 -0.099 0.000 1.099 97 L CA 0.479 55.143 54.840 -0.294 0.000 0.816 97 L CB -0.327 41.443 42.059 -0.481 0.000 0.952 97 L HN 0.099 nan 8.230 nan 0.000 0.455 98 M N -0.782 118.762 119.600 -0.093 0.000 2.505 98 M HA 0.144 4.620 4.480 -0.006 0.000 0.230 98 M C 0.539 176.843 176.300 0.006 0.000 1.153 98 M CA 0.332 55.620 55.300 -0.019 0.000 0.997 98 M CB -0.317 32.260 32.600 -0.038 0.000 1.606 98 M HN 0.006 nan 8.290 nan 0.000 0.481 99 S N 0.210 115.937 115.700 0.046 0.000 2.521 99 S HA 0.356 4.822 4.470 -0.006 0.000 0.295 99 S C 1.060 175.612 174.600 -0.079 0.000 1.098 99 S CA -0.470 57.717 58.200 -0.022 0.000 0.999 99 S CB 1.310 64.488 63.200 -0.036 0.000 1.034 99 S HN 0.469 nan 8.310 nan 0.000 0.483 100 T N 1.969 116.329 114.554 -0.323 0.000 3.163 100 T HA 0.075 4.422 4.350 -0.006 0.000 0.260 100 T C 1.147 175.533 174.700 -0.524 0.000 1.156 100 T CA 0.310 62.003 62.100 -0.677 0.000 1.072 100 T CB -0.216 68.125 68.868 -0.878 0.000 0.937 100 T HN 0.466 nan 8.240 nan 0.000 0.528 101 K N 0.701 120.822 120.400 -0.465 0.000 2.283 101 K HA 0.077 4.393 4.320 -0.006 0.000 0.202 101 K C -0.168 176.072 176.600 -0.600 0.000 1.048 101 K CA 0.630 56.555 56.287 -0.603 0.000 0.948 101 K CB -0.356 31.661 32.500 -0.806 0.000 0.742 101 K HN 0.621 nan 8.250 nan 0.000 0.458 102 Y N 0.759 121.065 120.300 0.010 0.000 2.335 102 Y HA 0.318 4.858 4.550 -0.018 0.000 0.338 102 Y C 0.495 176.463 175.900 0.113 0.000 0.977 102 Y CA -0.965 57.193 58.100 0.098 0.000 1.114 102 Y CB 1.347 39.922 38.460 0.192 0.000 1.182 102 Y HN -0.138 nan 8.280 nan 0.000 0.463 103 N N 2.219 121.056 118.700 0.227 0.000 2.381 103 N HA 0.310 5.046 4.740 -0.006 0.000 0.294 103 N C -1.042 174.512 175.510 0.075 0.000 1.216 103 N CA -1.048 52.079 53.050 0.129 0.000 0.803 103 N CB 1.893 40.456 38.487 0.127 0.000 1.372 103 N HN 0.532 nan 8.380 nan 0.000 0.500 104 K N 0.546 120.913 120.400 -0.053 0.000 2.527 104 K HA -0.056 4.260 4.320 -0.006 0.000 0.278 104 K C -0.251 176.398 176.600 0.082 0.000 0.981 104 K CA 0.228 56.489 56.287 -0.045 0.000 1.009 104 K CB 0.420 32.636 32.500 -0.473 0.000 0.895 104 K HN 0.397 nan 8.250 nan 0.000 0.493 105 D N 1.773 122.305 120.400 0.221 0.000 2.336 105 D HA -0.018 4.618 4.640 -0.006 0.000 0.249 105 D C 0.965 177.368 176.300 0.171 0.000 1.213 105 D CA 0.017 54.103 54.000 0.144 0.000 0.870 105 D CB 0.835 41.664 40.800 0.049 0.000 1.076 105 D HN 0.524 nan 8.370 nan 0.000 0.483 106 S N 3.665 119.427 115.700 0.104 0.000 2.419 106 S HA -0.173 4.293 4.470 -0.006 0.000 0.233 106 S C 1.507 176.150 174.600 0.071 0.000 1.016 106 S CA 0.789 59.048 58.200 0.099 0.000 0.974 106 S CB 0.017 63.257 63.200 0.065 0.000 0.786 106 S HN 0.456 nan 8.310 nan 0.000 0.492 107 K N -0.025 120.399 120.400 0.039 0.000 2.228 107 K HA 0.184 4.500 4.320 -0.006 0.000 0.202 107 K C 1.972 178.585 176.600 0.022 0.000 1.051 107 K CA 0.931 57.245 56.287 0.046 0.000 0.960 107 K CB -0.137 32.403 32.500 0.067 0.000 0.743 107 K HN 0.333 nan 8.250 nan 0.000 0.458 108 M N -0.653 118.861 119.600 -0.143 0.000 2.248 108 M HA -0.030 4.446 4.480 -0.006 0.000 0.265 108 M C 1.613 177.696 176.300 -0.362 0.000 1.079 108 M CA 1.550 56.600 55.300 -0.416 0.000 1.150 108 M CB -0.841 31.112 32.600 -1.078 0.000 1.366 108 M HN 0.064 nan 8.290 nan 0.000 0.433 109 Y N 1.407 121.608 120.300 -0.165 0.000 2.569 109 Y HA -0.160 4.386 4.550 -0.008 0.000 0.293 109 Y C 2.373 178.216 175.900 -0.095 0.000 1.144 109 Y CA 1.033 59.059 58.100 -0.122 0.000 1.321 109 Y CB -0.865 37.536 38.460 -0.097 0.000 0.982 109 Y HN 0.344 nan 8.280 nan 0.000 0.558 110 R N 0.153 120.657 120.500 0.006 0.000 2.159 110 R HA -0.134 4.203 4.340 -0.006 0.000 0.237 110 R C 2.168 178.439 176.300 -0.049 0.000 1.131 110 R CA 1.255 57.347 56.100 -0.013 0.000 0.982 110 R CB -0.816 29.450 30.300 -0.056 0.000 0.868 110 R HN 0.180 nan 8.270 nan 0.000 0.453 111 A N 1.505 124.260 122.820 -0.109 0.000 2.019 111 A HA 0.010 4.326 4.320 -0.006 0.000 0.219 111 A C 2.155 179.694 177.584 -0.076 0.000 1.164 111 A CA 0.987 52.954 52.037 -0.116 0.000 0.644 111 A CB -0.276 18.634 19.000 -0.149 0.000 0.805 111 A HN 0.342 nan 8.150 nan 0.000 0.449 112 L N -1.551 119.634 121.223 -0.063 0.000 2.202 112 L HA -0.108 4.228 4.340 -0.006 0.000 0.205 112 L C 2.704 179.683 176.870 0.182 0.000 1.083 112 L CA 0.710 55.543 54.840 -0.013 0.000 0.790 112 L CB -0.696 41.197 42.059 -0.277 0.000 0.942 112 L HN 0.420 nan 8.230 nan 0.000 0.452 113 Q N -0.181 119.693 119.800 0.122 0.000 2.096 113 Q HA -0.116 4.220 4.340 -0.006 0.000 0.208 113 Q C -0.039 176.032 176.000 0.118 0.000 0.993 113 Q CA 1.336 57.223 55.803 0.140 0.000 0.862 113 Q CB -0.074 28.718 28.738 0.090 0.000 0.915 113 Q HN 0.375 nan 8.270 nan 0.000 0.416 114 T N -0.163 114.432 114.554 0.068 0.000 2.993 114 T HA 0.490 4.836 4.350 -0.006 0.000 0.312 114 T C -1.279 173.417 174.700 -0.006 0.000 1.115 114 T CA -0.624 61.499 62.100 0.039 0.000 1.027 114 T CB 2.386 71.272 68.868 0.029 0.000 1.116 114 T HN -0.179 nan 8.240 nan 0.000 0.464 115 V N 3.846 123.742 119.914 -0.030 0.000 2.483 115 V HA 0.435 4.552 4.120 -0.006 0.000 0.297 115 V C -0.458 175.597 176.094 -0.065 0.000 1.027 115 V CA -0.868 61.325 62.300 -0.178 0.000 0.855 115 V CB 0.862 32.548 31.823 -0.228 0.000 0.995 115 V HN 0.974 nan 8.190 nan 0.000 0.424 116 F N 3.844 123.806 119.950 0.020 0.000 3.004 116 F HA -0.206 4.318 4.527 -0.006 0.000 0.264 116 F C 1.594 177.402 175.800 0.013 0.000 0.979 116 F CA 1.476 59.484 58.000 0.013 0.000 0.896 116 F CB -1.740 37.270 39.000 0.018 0.000 0.813 116 F HN 1.062 nan 8.300 nan 0.000 0.804 117 G N -1.078 107.823 108.800 0.169 0.000 2.205 117 G HA2 -0.310 3.646 3.960 -0.006 0.000 0.261 117 G HA3 -0.310 3.646 3.960 -0.006 0.000 0.261 117 G C 0.025 174.971 174.900 0.078 0.000 0.980 117 G CA 0.386 45.548 45.100 0.103 0.000 0.632 117 G HN 0.596 nan 8.290 nan 0.000 0.533 118 E N 0.544 120.794 120.200 0.083 0.000 2.134 118 E HA 0.566 4.912 4.350 -0.006 0.000 0.278 118 E C 0.608 177.232 176.600 0.039 0.000 0.959 118 E CA -0.943 55.492 56.400 0.059 0.000 0.783 118 E CB 0.440 30.184 29.700 0.073 0.000 1.095 118 E HN 0.375 nan 8.360 nan 0.000 0.399 119 R N 4.122 124.641 120.500 0.032 0.000 2.502 119 R HA 0.039 4.376 4.340 -0.006 0.000 0.292 119 R C -0.084 176.225 176.300 0.015 0.000 0.998 119 R CA 0.184 56.303 56.100 0.031 0.000 1.056 119 R CB 0.232 30.548 30.300 0.027 0.000 0.939 119 R HN 0.623 nan 8.270 nan 0.000 0.411 120 L N 4.476 125.717 121.223 0.030 0.000 3.701 120 L HA 0.278 4.614 4.340 -0.006 0.000 0.182 120 L C 0.771 177.601 176.870 -0.067 0.000 1.227 120 L CA 0.590 55.410 54.840 -0.034 0.000 0.926 120 L CB -0.277 41.791 42.059 0.015 0.000 1.561 120 L HN 0.680 nan 8.230 nan 0.000 0.672 121 F N 1.024 120.989 119.950 0.026 0.000 2.502 121 F HA 0.305 4.829 4.527 -0.005 0.000 0.298 121 F C 1.853 177.682 175.800 0.047 0.000 1.111 121 F CA 0.903 58.926 58.000 0.038 0.000 1.445 121 F CB -0.797 38.223 39.000 0.033 0.000 1.081 121 F HN 0.442 nan 8.300 nan 0.000 0.558 122 G N 0.208 109.124 108.800 0.193 0.000 2.614 122 G HA2 -0.335 3.621 3.960 -0.006 0.000 0.303 122 G HA3 -0.335 3.621 3.960 -0.006 0.000 0.303 122 G C 0.448 175.430 174.900 0.137 0.000 1.270 122 G CA 0.332 45.510 45.100 0.130 0.000 0.988 122 G HN 0.243 nan 8.290 nan 0.000 0.551 123 Q N 1.888 121.758 119.800 0.117 0.000 2.286 123 Q HA 0.377 4.713 4.340 -0.006 0.000 0.281 123 Q C 1.201 177.280 176.000 0.131 0.000 0.897 123 Q CA 0.622 56.493 55.803 0.113 0.000 1.023 123 Q CB 0.195 28.988 28.738 0.090 0.000 1.151 123 Q HN 0.845 nan 8.270 nan 0.000 0.445 124 G N 0.383 109.280 108.800 0.162 0.000 2.525 124 G HA2 0.119 4.075 3.960 -0.006 0.000 0.276 124 G HA3 0.119 4.075 3.960 -0.006 0.000 0.276 124 G C 0.792 175.795 174.900 0.172 0.000 1.388 124 G CA -0.475 44.734 45.100 0.181 0.000 1.050 124 G HN 0.361 nan 8.290 nan 0.000 0.520 125 L N -0.707 120.621 121.223 0.175 0.000 2.201 125 L HA 0.011 4.348 4.340 -0.006 0.000 0.212 125 L C 2.709 179.663 176.870 0.139 0.000 1.105 125 L CA 1.280 56.233 54.840 0.188 0.000 0.775 125 L CB -0.077 42.089 42.059 0.179 0.000 0.913 125 L HN 0.236 nan 8.230 nan 0.000 0.440 126 V N -1.240 118.693 119.914 0.032 0.000 2.446 126 V HA -0.105 4.011 4.120 -0.006 0.000 0.244 126 V C 2.339 178.339 176.094 -0.158 0.000 1.039 126 V CA 1.483 63.733 62.300 -0.085 0.000 1.045 126 V CB -0.314 31.428 31.823 -0.136 0.000 0.681 126 V HN 0.675 nan 8.190 nan 0.000 0.459 127 S N -0.645 115.028 115.700 -0.045 0.000 2.517 127 S HA 0.077 4.543 4.470 -0.006 0.000 0.214 127 S C 0.819 175.401 174.600 -0.029 0.000 0.991 127 S CA -0.033 58.144 58.200 -0.039 0.000 0.906 127 S CB -0.065 63.187 63.200 0.086 0.000 0.789 127 S HN 0.499 nan 8.310 nan 0.000 0.513 128 E N 0.988 121.202 120.200 0.023 0.000 2.366 128 E HA 0.213 4.559 4.350 -0.006 0.000 0.266 128 E C 0.068 176.656 176.600 -0.021 0.000 1.015 128 E CA -0.090 56.344 56.400 0.055 0.000 0.906 128 E CB 0.267 30.053 29.700 0.145 0.000 0.979 128 E HN 0.308 nan 8.360 nan 0.000 0.443 129 C N 4.184 123.471 119.300 -0.021 0.000 2.935 129 C HA 0.237 4.694 4.460 -0.006 0.000 0.308 129 C C 0.904 175.909 174.990 0.025 0.000 1.263 129 C CA -0.503 58.467 59.018 -0.081 0.000 1.738 129 C CB -0.855 26.852 27.740 -0.056 0.000 2.237 129 C HN 0.774 nan 8.230 nan 0.000 0.600 130 N N 0.737 119.490 118.700 0.089 0.000 2.468 130 N HA -0.071 4.665 4.740 -0.006 0.000 0.265 130 N C 0.602 176.251 175.510 0.231 0.000 1.199 130 N CA 0.204 53.341 53.050 0.144 0.000 0.928 130 N CB 0.411 38.974 38.487 0.125 0.000 1.059 130 N HN 0.523 nan 8.380 nan 0.000 0.467 131 Y N 4.742 125.132 120.300 0.149 0.000 2.097 131 Y HA -0.220 4.330 4.550 0.001 0.000 0.282 131 Y C 1.862 177.966 175.900 0.341 0.000 1.152 131 Y CA 1.773 60.021 58.100 0.247 0.000 1.136 131 Y CB 0.163 38.693 38.460 0.117 0.000 0.975 131 Y HN 0.610 nan 8.280 nan 0.000 0.498 132 E N 0.413 120.807 120.200 0.323 0.000 2.058 132 E HA -0.217 4.129 4.350 -0.006 0.000 0.194 132 E C 2.274 178.935 176.600 0.100 0.000 0.997 132 E CA 1.585 58.105 56.400 0.201 0.000 0.801 132 E CB -0.412 29.410 29.700 0.202 0.000 0.746 132 E HN 0.578 nan 8.360 nan 0.000 0.450 133 R N -0.348 120.224 120.500 0.121 0.000 2.092 133 R HA -0.146 4.191 4.340 -0.006 0.000 0.231 133 R C 2.196 178.541 176.300 0.075 0.000 1.119 133 R CA 1.390 57.541 56.100 0.084 0.000 0.970 133 R CB -0.427 29.930 30.300 0.095 0.000 0.864 133 R HN 0.261 nan 8.270 nan 0.000 0.440 134 W N 1.114 122.384 121.300 -0.049 0.000 2.379 134 W HA -0.182 4.475 4.660 -0.006 0.000 0.307 134 W C 2.080 178.556 176.519 -0.071 0.000 1.200 134 W CA 1.512 58.818 57.345 -0.066 0.000 1.297 134 W CB -0.546 28.859 29.460 -0.092 0.000 1.140 134 W HN 0.131 nan 8.180 nan 0.000 0.507 135 H N 0.343 119.076 119.070 -0.560 0.000 2.421 135 H HA -0.171 4.383 4.556 -0.004 0.000 0.298 135 H C 2.254 177.230 175.328 -0.588 0.000 1.087 135 H CA 1.729 57.196 56.048 -0.968 0.000 1.330 135 H CB -0.059 29.304 29.762 -0.665 0.000 1.388 135 H HN 0.202 nan 8.280 nan 0.000 0.526 136 K N 0.770 120.968 120.400 -0.337 0.000 2.026 136 K HA -0.194 4.122 4.320 -0.006 0.000 0.208 136 K C 2.440 178.873 176.600 -0.279 0.000 1.048 136 K CA 1.917 58.040 56.287 -0.272 0.000 0.929 136 K CB 0.024 32.449 32.500 -0.126 0.000 0.713 136 K HN 0.551 nan 8.250 nan 0.000 0.439 137 Q N -0.197 119.447 119.800 -0.259 0.000 2.119 137 Q HA -0.182 4.154 4.340 -0.006 0.000 0.201 137 Q C 2.077 177.914 176.000 -0.271 0.000 0.972 137 Q CA 1.080 56.766 55.803 -0.195 0.000 0.847 137 Q CB -0.302 28.387 28.738 -0.082 0.000 0.903 137 Q HN 0.068 nan 8.270 nan 0.000 0.433 138 R N 1.349 121.522 120.500 -0.546 0.000 2.081 138 R HA -0.035 4.301 4.340 -0.006 0.000 0.235 138 R C 2.198 178.293 176.300 -0.341 0.000 1.131 138 R CA 1.665 57.447 56.100 -0.531 0.000 0.960 138 R CB -0.180 29.473 30.300 -1.079 0.000 0.856 138 R HN 0.271 nan 8.270 nan 0.000 0.436 139 R N -0.495 119.751 120.500 -0.424 0.000 2.120 139 R HA -0.078 4.258 4.340 -0.006 0.000 0.234 139 R C 2.126 178.329 176.300 -0.161 0.000 1.123 139 R CA 1.576 57.499 56.100 -0.294 0.000 0.975 139 R CB -0.336 29.737 30.300 -0.377 0.000 0.866 139 R HN 0.137 nan 8.270 nan 0.000 0.446 140 V N 1.122 120.949 119.914 -0.145 0.000 2.346 140 V HA -0.168 3.948 4.120 -0.006 0.000 0.244 140 V C 2.210 178.281 176.094 -0.038 0.000 1.037 140 V CA 1.506 63.757 62.300 -0.081 0.000 1.029 140 V CB -0.251 31.529 31.823 -0.072 0.000 0.663 140 V HN 0.233 nan 8.190 nan 0.000 0.454 141 I N 0.050 120.609 120.570 -0.018 0.000 2.546 141 I HA -0.172 3.994 4.170 -0.006 0.000 0.255 141 I C 2.153 178.372 176.117 0.171 0.000 1.163 141 I CA 1.002 62.337 61.300 0.058 0.000 1.457 141 I CB -0.514 37.554 38.000 0.113 0.000 1.092 141 I HN 0.292 nan 8.210 nan 0.000 0.434 142 D N 1.064 121.534 120.400 0.117 0.000 2.203 142 D HA -0.185 4.451 4.640 -0.006 0.000 0.199 142 D C 2.073 178.477 176.300 0.173 0.000 0.997 142 D CA 1.306 55.404 54.000 0.162 0.000 0.863 142 D CB -0.170 40.661 40.800 0.052 0.000 0.928 142 D HN 0.184 nan 8.370 nan 0.000 0.458 143 L N 0.709 121.977 121.223 0.075 0.000 2.127 143 L HA -0.119 4.217 4.340 -0.006 0.000 0.211 143 L C 2.356 179.224 176.870 -0.004 0.000 1.089 143 L CA 1.169 56.025 54.840 0.026 0.000 0.757 143 L CB -1.053 40.998 42.059 -0.014 0.000 0.899 143 L HN -0.034 nan 8.230 nan 0.000 0.434 144 A N -2.198 120.603 122.820 -0.031 0.000 2.209 144 A HA -0.016 4.300 4.320 -0.006 0.000 0.212 144 A C 1.403 178.739 177.584 -0.412 0.000 1.158 144 A CA 0.627 52.513 52.037 -0.252 0.000 0.742 144 A CB -0.656 18.105 19.000 -0.397 0.000 0.790 144 A HN 0.358 nan 8.150 nan 0.000 0.472 145 F N 0.496 120.454 119.950 0.014 0.000 2.708 145 F HA 0.167 4.691 4.527 -0.005 0.000 0.300 145 F C 1.268 177.089 175.800 0.035 0.000 1.118 145 F CA -0.100 57.935 58.000 0.058 0.000 1.307 145 F CB 0.029 39.085 39.000 0.093 0.000 0.986 145 F HN 0.142 nan 8.300 nan 0.000 0.522 146 S N -0.446 115.317 115.700 0.106 0.000 2.589 146 S HA 0.119 4.585 4.470 -0.006 0.000 0.265 146 S C 1.585 176.196 174.600 0.019 0.000 1.342 146 S CA -0.639 57.595 58.200 0.056 0.000 1.005 146 S CB 1.165 64.369 63.200 0.006 0.000 0.909 146 S HN 0.327 nan 8.310 nan 0.000 0.555 147 R N 1.600 122.098 120.500 -0.004 0.000 2.096 147 R HA -0.140 4.196 4.340 -0.006 0.000 0.240 147 R C 2.464 178.670 176.300 -0.156 0.000 1.139 147 R CA 2.445 58.505 56.100 -0.066 0.000 0.952 147 R CB -1.543 28.722 30.300 -0.058 0.000 0.854 147 R HN 0.894 nan 8.270 nan 0.000 0.436 148 S N -0.839 114.786 115.700 -0.126 0.000 2.368 148 S HA -0.111 4.355 4.470 -0.006 0.000 0.225 148 S C 2.137 176.641 174.600 -0.160 0.000 1.030 148 S CA 1.300 59.410 58.200 -0.150 0.000 0.999 148 S CB -0.612 62.523 63.200 -0.108 0.000 0.844 148 S HN 0.336 nan 8.310 nan 0.000 0.459 149 S N 2.696 118.317 115.700 -0.132 0.000 2.359 149 S HA -0.024 4.442 4.470 -0.006 0.000 0.223 149 S C 1.886 176.373 174.600 -0.188 0.000 1.039 149 S CA 1.752 59.858 58.200 -0.157 0.000 1.042 149 S CB -0.762 62.344 63.200 -0.157 0.000 0.915 149 S HN 0.479 nan 8.310 nan 0.000 0.439 150 L N 1.108 122.243 121.223 -0.145 0.000 2.093 150 L HA -0.061 4.275 4.340 -0.006 0.000 0.208 150 L C 2.322 179.055 176.870 -0.228 0.000 1.085 150 L CA 0.784 55.544 54.840 -0.133 0.000 0.755 150 L CB -0.775 41.298 42.059 0.024 0.000 0.904 150 L HN 0.196 nan 8.230 nan 0.000 0.435 151 V N 0.055 119.779 119.914 -0.316 0.000 2.469 151 V HA -0.248 3.868 4.120 -0.006 0.000 0.251 151 V C 2.572 178.502 176.094 -0.272 0.000 1.064 151 V CA 1.981 64.045 62.300 -0.393 0.000 1.066 151 V CB -0.595 30.912 31.823 -0.528 0.000 0.667 151 V HN 0.636 nan 8.190 nan 0.000 0.461 152 S N -0.643 114.904 115.700 -0.255 0.000 2.561 152 S HA 0.091 4.557 4.470 -0.006 0.000 0.225 152 S C 1.632 176.044 174.600 -0.313 0.000 0.977 152 S CA 0.563 58.623 58.200 -0.234 0.000 0.926 152 S CB -0.358 62.727 63.200 -0.191 0.000 0.769 152 S HN 0.557 nan 8.310 nan 0.000 0.533 153 L N 0.264 121.216 121.223 -0.452 0.000 2.492 153 L HA 0.153 4.489 4.340 -0.006 0.000 0.223 153 L C 2.323 178.605 176.870 -0.980 0.000 1.132 153 L CA 0.237 54.605 54.840 -0.786 0.000 0.850 153 L CB -0.552 40.824 42.059 -1.139 0.000 0.966 153 L HN 0.313 nan 8.230 nan 0.000 0.454 154 M N -0.017 119.258 119.600 -0.541 0.000 2.149 154 M HA -0.231 4.245 4.480 -0.006 0.000 0.261 154 M C 2.129 178.255 176.300 -0.291 0.000 1.064 154 M CA 1.603 56.725 55.300 -0.297 0.000 1.102 154 M CB -0.791 31.772 32.600 -0.061 0.000 1.369 154 M HN 0.193 nan 8.290 nan 0.000 0.408 155 E N 0.113 120.141 120.200 -0.286 0.000 2.072 155 E HA -0.103 4.243 4.350 -0.006 0.000 0.191 155 E C 1.831 178.278 176.600 -0.254 0.000 0.985 155 E CA 1.905 58.161 56.400 -0.240 0.000 0.801 155 E CB -0.212 29.400 29.700 -0.146 0.000 0.750 155 E HN 0.383 nan 8.360 nan 0.000 0.452 156 T N 0.497 114.875 114.554 -0.293 0.000 2.777 156 T HA -0.095 4.251 4.350 -0.006 0.000 0.266 156 T C 1.318 175.975 174.700 -0.071 0.000 1.040 156 T CA 1.277 63.257 62.100 -0.201 0.000 1.141 156 T CB -0.391 68.334 68.868 -0.238 0.000 0.868 156 T HN 0.110 nan 8.240 nan 0.000 0.444 157 F N 2.398 122.251 119.950 -0.161 0.000 2.069 157 F HA -0.080 4.443 4.527 -0.007 0.000 0.298 157 F C 2.445 178.142 175.800 -0.171 0.000 1.113 157 F CA 0.235 58.149 58.000 -0.142 0.000 1.214 157 F CB -1.320 37.593 39.000 -0.145 0.000 0.978 157 F HN 0.175 nan 8.300 nan 0.000 0.474 158 N N 0.457 119.090 118.700 -0.112 0.000 2.104 158 N HA -0.181 4.555 4.740 -0.006 0.000 0.190 158 N C 1.791 177.082 175.510 -0.366 0.000 1.024 158 N CA 1.459 54.255 53.050 -0.423 0.000 0.853 158 N CB -0.359 37.472 38.487 -1.093 0.000 1.008 158 N HN 0.474 nan 8.380 nan 0.000 0.424 159 E N 0.743 120.788 120.200 -0.258 0.000 2.031 159 E HA -0.130 4.216 4.350 -0.006 0.000 0.193 159 E C 1.813 178.443 176.600 0.049 0.000 0.994 159 E CA 0.897 57.282 56.400 -0.026 0.000 0.800 159 E CB 0.073 29.777 29.700 0.007 0.000 0.752 159 E HN 0.195 nan 8.360 nan 0.000 0.447 160 K N 0.461 120.892 120.400 0.051 0.000 2.103 160 K HA -0.000 4.316 4.320 -0.006 0.000 0.204 160 K C 2.053 178.705 176.600 0.087 0.000 1.052 160 K CA 0.947 57.284 56.287 0.084 0.000 0.945 160 K CB -0.340 32.224 32.500 0.107 0.000 0.722 160 K HN 0.079 nan 8.250 nan 0.000 0.443 161 A N 1.504 124.368 122.820 0.074 0.000 1.933 161 A HA -0.198 4.119 4.320 -0.006 0.000 0.218 161 A C 2.210 179.854 177.584 0.100 0.000 1.175 161 A CA 1.886 53.969 52.037 0.075 0.000 0.628 161 A CB -0.355 18.678 19.000 0.055 0.000 0.814 161 A HN 0.319 nan 8.150 nan 0.000 0.444 162 E N 0.037 120.312 120.200 0.125 0.000 2.077 162 E HA -0.242 4.104 4.350 -0.006 0.000 0.193 162 E C 2.119 178.795 176.600 0.126 0.000 0.989 162 E CA 1.873 58.373 56.400 0.166 0.000 0.800 162 E CB -0.406 29.471 29.700 0.294 0.000 0.746 162 E HN 0.698 nan 8.360 nan 0.000 0.452 163 Q N -0.491 119.378 119.800 0.115 0.000 2.096 163 Q HA -0.175 4.161 4.340 -0.006 0.000 0.204 163 Q C 2.235 178.290 176.000 0.092 0.000 0.982 163 Q CA 1.667 57.527 55.803 0.094 0.000 0.850 163 Q CB -0.273 28.517 28.738 0.087 0.000 0.901 163 Q HN 0.405 nan 8.270 nan 0.000 0.422 164 L N -0.133 121.150 121.223 0.099 0.000 2.012 164 L HA -0.161 4.175 4.340 -0.006 0.000 0.210 164 L C 2.109 179.039 176.870 0.100 0.000 1.073 164 L CA 1.597 56.500 54.840 0.105 0.000 0.748 164 L CB -0.646 41.475 42.059 0.104 0.000 0.891 164 L HN 0.096 nan 8.230 nan 0.000 0.431 165 V N -0.014 119.959 119.914 0.098 0.000 2.343 165 V HA -0.278 3.838 4.120 -0.006 0.000 0.247 165 V C 2.545 178.680 176.094 0.067 0.000 1.051 165 V CA 2.115 64.469 62.300 0.090 0.000 1.036 165 V CB -0.700 31.178 31.823 0.091 0.000 0.654 165 V HN 0.529 nan 8.190 nan 0.000 0.451 166 E N -0.074 120.166 120.200 0.067 0.000 2.077 166 E HA -0.199 4.148 4.350 -0.006 0.000 0.193 166 E C 2.171 178.798 176.600 0.045 0.000 0.989 166 E CA 1.511 57.942 56.400 0.051 0.000 0.800 166 E CB -0.216 29.515 29.700 0.052 0.000 0.746 166 E HN 0.564 nan 8.360 nan 0.000 0.452 167 I N 1.016 121.620 120.570 0.057 0.000 2.226 167 I HA -0.285 3.881 4.170 -0.006 0.000 0.245 167 I C 2.307 178.455 176.117 0.050 0.000 1.100 167 I CA 1.015 62.349 61.300 0.056 0.000 1.374 167 I CB -0.242 37.802 38.000 0.073 0.000 1.057 167 I HN 0.125 nan 8.210 nan 0.000 0.413 168 L N 0.228 121.485 121.223 0.057 0.000 2.027 168 L HA -0.179 4.157 4.340 -0.006 0.000 0.206 168 L C 2.465 179.332 176.870 -0.005 0.000 1.074 168 L CA 1.432 56.295 54.840 0.039 0.000 0.745 168 L CB -0.684 41.413 42.059 0.064 0.000 0.898 168 L HN 0.235 nan 8.230 nan 0.000 0.433 169 E N 0.503 120.701 120.200 -0.004 0.000 2.160 169 E HA -0.216 4.130 4.350 -0.006 0.000 0.195 169 E C 2.188 178.780 176.600 -0.015 0.000 0.991 169 E CA 1.086 57.473 56.400 -0.021 0.000 0.810 169 E CB -0.190 29.507 29.700 -0.004 0.000 0.742 169 E HN 0.494 nan 8.360 nan 0.000 0.466 170 A N 1.052 123.872 122.820 0.001 0.000 2.178 170 A HA -0.151 4.165 4.320 -0.006 0.000 0.218 170 A C 1.622 179.204 177.584 -0.004 0.000 1.157 170 A CA 1.085 53.124 52.037 0.003 0.000 0.689 170 A CB -0.029 18.979 19.000 0.014 0.000 0.787 170 A HN 0.048 nan 8.150 nan 0.000 0.465 171 K N -0.916 119.478 120.400 -0.010 0.000 2.402 171 K HA 0.324 4.640 4.320 -0.006 0.000 0.204 171 K C 0.293 176.870 176.600 -0.038 0.000 1.056 171 K CA 0.390 56.669 56.287 -0.014 0.000 1.069 171 K CB 0.768 33.269 32.500 0.001 0.000 0.888 171 K HN 0.262 nan 8.250 nan 0.000 0.546 172 A N 2.789 125.576 122.820 -0.055 0.000 3.056 172 A HA 0.067 4.384 4.320 -0.006 0.000 0.274 172 A C -0.180 177.351 177.584 -0.089 0.000 1.661 172 A CA -0.243 51.740 52.037 -0.090 0.000 1.363 172 A CB -0.487 18.445 19.000 -0.113 0.000 1.139 172 A HN 0.269 nan 8.150 nan 0.000 0.598 173 D N -0.142 120.209 120.400 -0.082 0.000 2.571 173 D HA 0.265 4.901 4.640 -0.006 0.000 0.239 173 D C 0.972 177.209 176.300 -0.104 0.000 1.267 173 D CA 0.238 54.185 54.000 -0.089 0.000 0.823 173 D CB -0.439 40.325 40.800 -0.061 0.000 1.056 173 D HN 0.726 nan 8.370 nan 0.000 0.494 174 G N 0.780 109.513 108.800 -0.112 0.000 2.187 174 G HA2 -0.411 3.545 3.960 -0.006 0.000 0.261 174 G HA3 -0.411 3.545 3.960 -0.006 0.000 0.261 174 G C 0.652 175.504 174.900 -0.080 0.000 1.000 174 G CA 1.002 46.036 45.100 -0.111 0.000 0.718 174 G HN 0.564 nan 8.290 nan 0.000 0.519 175 Q N -1.812 117.950 119.800 -0.063 0.000 2.181 175 Q HA 0.132 4.468 4.340 -0.006 0.000 0.244 175 Q C 0.252 176.232 176.000 -0.033 0.000 0.745 175 Q CA 0.609 56.384 55.803 -0.047 0.000 0.934 175 Q CB 0.791 29.500 28.738 -0.047 0.000 1.220 175 Q HN 0.368 nan 8.270 nan 0.000 0.478 176 T N 4.898 119.433 114.554 -0.031 0.000 2.728 176 T HA 0.351 4.697 4.350 -0.006 0.000 0.296 176 T C -2.672 172.021 174.700 -0.011 0.000 0.940 176 T CA -1.116 60.973 62.100 -0.018 0.000 1.013 176 T CB 1.447 70.306 68.868 -0.015 0.000 0.912 176 T HN 0.180 nan 8.240 nan 0.000 0.484 177 P HA 0.355 nan 4.420 nan 0.000 0.281 177 P C -1.041 176.264 177.300 0.009 0.000 1.252 177 P CA -0.380 62.718 63.100 -0.002 0.000 0.778 177 P CB 0.975 32.670 31.700 -0.008 0.000 0.895 178 V N 2.712 122.637 119.914 0.019 0.000 2.540 178 V HA 0.222 4.338 4.120 -0.006 0.000 0.302 178 V C 0.673 176.775 176.094 0.013 0.000 1.035 178 V CA -0.634 61.684 62.300 0.031 0.000 0.873 178 V CB 1.791 33.649 31.823 0.058 0.000 0.992 178 V HN 0.621 nan 8.190 nan 0.000 0.428 179 S N 5.492 121.188 115.700 -0.007 0.000 2.423 179 S HA 0.155 4.621 4.470 -0.006 0.000 0.302 179 S C 1.331 175.886 174.600 -0.075 0.000 1.143 179 S CA -0.589 57.579 58.200 -0.053 0.000 1.080 179 S CB 0.038 63.199 63.200 -0.065 0.000 1.081 179 S HN 0.587 nan 8.310 nan 0.000 0.522 180 M N 3.732 123.280 119.600 -0.087 0.000 2.296 180 M HA -0.102 4.374 4.480 -0.006 0.000 0.265 180 M C 2.120 178.312 176.300 -0.180 0.000 1.064 180 M CA 1.292 56.521 55.300 -0.119 0.000 1.109 180 M CB -1.337 31.160 32.600 -0.173 0.000 1.396 180 M HN 0.828 nan 8.290 nan 0.000 0.430 181 Q N 0.833 120.512 119.800 -0.202 0.000 2.030 181 Q HA -0.213 4.123 4.340 -0.006 0.000 0.204 181 Q C 1.373 177.213 176.000 -0.266 0.000 0.986 181 Q CA 1.941 57.605 55.803 -0.231 0.000 0.843 181 Q CB 0.118 28.719 28.738 -0.228 0.000 0.904 181 Q HN 0.391 nan 8.270 nan 0.000 0.420 182 D N -0.151 120.070 120.400 -0.298 0.000 2.097 182 D HA -0.164 4.473 4.640 -0.006 0.000 0.195 182 D C 1.941 177.739 176.300 -0.836 0.000 0.989 182 D CA 1.174 54.836 54.000 -0.564 0.000 0.827 182 D CB -0.128 40.416 40.800 -0.428 0.000 0.966 182 D HN 0.334 nan 8.370 nan 0.000 0.456 183 M N 0.140 119.507 119.600 -0.388 0.000 2.159 183 M HA -0.054 4.422 4.480 -0.006 0.000 0.263 183 M C 2.440 178.673 176.300 -0.111 0.000 1.063 183 M CA 0.815 56.025 55.300 -0.150 0.000 1.110 183 M CB -0.900 31.711 32.600 0.019 0.000 1.374 183 M HN 0.056 nan 8.290 nan 0.000 0.411 184 L N -0.093 121.044 121.223 -0.144 0.000 2.093 184 L HA -0.181 4.156 4.340 -0.006 0.000 0.208 184 L C 2.656 179.488 176.870 -0.063 0.000 1.085 184 L CA 1.708 56.495 54.840 -0.089 0.000 0.755 184 L CB -1.112 40.874 42.059 -0.122 0.000 0.904 184 L HN 0.427 nan 8.230 nan 0.000 0.435 185 T N -3.276 111.190 114.554 -0.147 0.000 2.788 185 T HA -0.217 4.129 4.350 -0.006 0.000 0.268 185 T C 1.798 176.556 174.700 0.095 0.000 1.044 185 T CA 1.063 63.145 62.100 -0.031 0.000 1.139 185 T CB -0.546 68.274 68.868 -0.080 0.000 0.867 185 T HN 0.139 nan 8.240 nan 0.000 0.454 186 Y N 2.389 122.729 120.300 0.067 0.000 2.181 186 Y HA 0.006 4.552 4.550 -0.006 0.000 0.288 186 Y C 3.126 179.062 175.900 0.061 0.000 1.146 186 Y CA 0.601 58.738 58.100 0.062 0.000 1.164 186 Y CB -1.562 36.932 38.460 0.057 0.000 0.982 186 Y HN 0.262 nan 8.280 nan 0.000 0.515 187 T N 0.163 114.846 114.554 0.215 0.000 2.684 187 T HA -0.215 4.131 4.350 -0.006 0.000 0.267 187 T C 2.233 177.015 174.700 0.137 0.000 1.036 187 T CA 1.652 63.841 62.100 0.148 0.000 1.148 187 T CB -0.651 68.276 68.868 0.100 0.000 0.863 187 T HN 0.413 nan 8.240 nan 0.000 0.436 188 A N 1.046 123.948 122.820 0.135 0.000 1.929 188 A HA 0.074 4.390 4.320 -0.006 0.000 0.216 188 A C 2.300 179.981 177.584 0.163 0.000 1.176 188 A CA 1.501 53.635 52.037 0.163 0.000 0.628 188 A CB -0.640 18.467 19.000 0.179 0.000 0.816 188 A HN 0.515 nan 8.150 nan 0.000 0.444 189 M N -0.506 119.146 119.600 0.086 0.000 2.099 189 M HA -0.152 4.324 4.480 -0.006 0.000 0.262 189 M C 1.196 177.505 176.300 0.014 0.000 1.067 189 M CA 2.176 57.386 55.300 -0.149 0.000 1.124 189 M CB -0.269 32.194 32.600 -0.227 0.000 1.353 189 M HN 0.286 nan 8.290 nan 0.000 0.410 190 D N 0.745 121.202 120.400 0.095 0.000 2.144 190 D HA -0.125 4.511 4.640 -0.006 0.000 0.199 190 D C 1.936 178.316 176.300 0.132 0.000 0.984 190 D CA 1.428 55.496 54.000 0.114 0.000 0.834 190 D CB -0.391 40.475 40.800 0.110 0.000 0.955 190 D HN 0.456 nan 8.370 nan 0.000 0.465 191 I N 0.760 121.430 120.570 0.167 0.000 2.127 191 I HA -0.227 3.939 4.170 -0.006 0.000 0.241 191 I C 2.443 178.728 176.117 0.280 0.000 1.075 191 I CA 0.671 62.115 61.300 0.240 0.000 1.334 191 I CB -0.163 38.022 38.000 0.307 0.000 1.040 191 I HN 0.097 nan 8.210 nan 0.000 0.405 192 L N 1.161 122.541 121.223 0.261 0.000 2.017 192 L HA -0.186 4.150 4.340 -0.006 0.000 0.208 192 L C 2.694 179.692 176.870 0.213 0.000 1.073 192 L CA 2.404 57.397 54.840 0.254 0.000 0.745 192 L CB -1.062 41.079 42.059 0.137 0.000 0.894 192 L HN 0.240 nan 8.230 nan 0.000 0.432 193 A N 0.239 123.207 122.820 0.246 0.000 1.877 193 A HA -0.273 4.043 4.320 -0.006 0.000 0.216 193 A C 2.294 179.999 177.584 0.202 0.000 1.186 193 A CA 2.085 54.369 52.037 0.413 0.000 0.620 193 A CB -0.517 18.703 19.000 0.366 0.000 0.822 193 A HN 0.437 nan 8.150 nan 0.000 0.443 194 K N 0.221 120.684 120.400 0.105 0.000 2.001 194 K HA 0.054 4.370 4.320 -0.006 0.000 0.208 194 K C 2.058 178.665 176.600 0.013 0.000 1.048 194 K CA 1.847 58.151 56.287 0.029 0.000 0.932 194 K CB -0.839 31.672 32.500 0.019 0.000 0.715 194 K HN 0.291 nan 8.250 nan 0.000 0.437 195 A N 0.214 123.063 122.820 0.048 0.000 1.908 195 A HA -0.057 4.259 4.320 -0.006 0.000 0.218 195 A C 2.306 179.860 177.584 -0.051 0.000 1.181 195 A CA 2.381 54.426 52.037 0.012 0.000 0.627 195 A CB -0.901 18.194 19.000 0.159 0.000 0.818 195 A HN 0.462 nan 8.150 nan 0.000 0.445 196 A N -2.634 120.106 122.820 -0.133 0.000 2.014 196 A HA 0.456 4.772 4.320 -0.006 0.000 0.210 196 A C 1.498 178.786 177.584 -0.494 0.000 1.188 196 A CA 0.792 52.549 52.037 -0.468 0.000 0.731 196 A CB -0.084 18.371 19.000 -0.908 0.000 0.858 196 A HN 0.479 nan 8.150 nan 0.000 0.464 197 F N -1.739 118.282 119.950 0.118 0.000 2.767 197 F HA 0.383 4.906 4.527 -0.007 0.000 0.323 197 F C 1.659 177.448 175.800 -0.019 0.000 1.091 197 F CA 0.433 58.516 58.000 0.137 0.000 1.192 197 F CB 0.949 40.181 39.000 0.386 0.000 1.056 197 F HN 0.317 nan 8.300 nan 0.000 0.571 198 G N 0.883 109.720 108.800 0.062 0.000 2.143 198 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.249 198 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.249 198 G C 0.120 174.949 174.900 -0.119 0.000 0.981 198 G CA -0.078 45.003 45.100 -0.032 0.000 0.665 198 G HN 0.069 nan 8.290 nan 0.000 0.528 199 M N 0.366 119.845 119.600 -0.201 0.000 2.423 199 M HA 0.496 4.972 4.480 -0.006 0.000 0.335 199 M C -0.078 176.069 176.300 -0.255 0.000 1.177 199 M CA -0.722 54.315 55.300 -0.438 0.000 1.038 199 M CB 1.421 33.288 32.600 -1.222 0.000 1.641 199 M HN 0.007 nan 8.290 nan 0.000 0.455 200 E N 1.921 121.995 120.200 -0.209 0.000 2.073 200 E HA 0.240 4.586 4.350 -0.006 0.000 0.269 200 E C 0.763 177.349 176.600 -0.023 0.000 0.917 200 E CA -0.007 56.347 56.400 -0.077 0.000 0.757 200 E CB 1.081 30.752 29.700 -0.047 0.000 1.111 200 E HN 0.728 nan 8.360 nan 0.000 0.410 201 T N -1.680 112.911 114.554 0.062 0.000 3.014 201 T HA -0.067 4.279 4.350 -0.006 0.000 0.263 201 T C 0.950 175.710 174.700 0.100 0.000 1.078 201 T CA 0.302 62.495 62.100 0.155 0.000 1.135 201 T CB -0.004 69.019 68.868 0.258 0.000 0.895 201 T HN 0.317 nan 8.240 nan 0.000 0.480 202 S N 0.713 116.451 115.700 0.063 0.000 3.635 202 S HA -0.197 4.269 4.470 -0.006 0.000 0.328 202 S C 1.014 175.613 174.600 -0.002 0.000 1.135 202 S CA 0.917 59.137 58.200 0.033 0.000 0.942 202 S CB -2.234 60.980 63.200 0.024 0.000 0.930 202 S HN 0.628 nan 8.310 nan 0.000 0.512 203 M N -0.166 119.434 119.600 -0.002 0.000 2.213 203 M HA -0.065 4.411 4.480 -0.006 0.000 0.263 203 M C 2.024 178.177 176.300 -0.245 0.000 1.062 203 M CA 1.593 56.803 55.300 -0.151 0.000 1.105 203 M CB -0.449 32.095 32.600 -0.093 0.000 1.385 203 M HN 0.447 nan 8.290 nan 0.000 0.417 204 L N 0.098 121.299 121.223 -0.037 0.000 2.187 204 L HA -0.175 4.161 4.340 -0.006 0.000 0.213 204 L C 1.759 178.615 176.870 -0.023 0.000 1.100 204 L CA 0.945 55.797 54.840 0.019 0.000 0.765 204 L CB -0.410 41.700 42.059 0.087 0.000 0.904 204 L HN 0.348 nan 8.230 nan 0.000 0.437 205 L N -0.658 120.545 121.223 -0.034 0.000 2.728 205 L HA 0.221 4.557 4.340 -0.006 0.000 0.235 205 L C 1.329 178.168 176.870 -0.052 0.000 1.197 205 L CA 0.391 55.216 54.840 -0.024 0.000 0.992 205 L CB -0.062 41.996 42.059 -0.001 0.000 1.263 205 L HN 0.394 nan 8.230 nan 0.000 0.484 206 G N -0.387 108.342 108.800 -0.119 0.000 2.175 206 G HA2 -0.273 3.684 3.960 -0.006 0.000 0.244 206 G HA3 -0.273 3.684 3.960 -0.006 0.000 0.244 206 G C 0.436 175.278 174.900 -0.097 0.000 0.982 206 G CA 0.054 45.080 45.100 -0.124 0.000 0.641 206 G HN 0.507 nan 8.290 nan 0.000 0.527 207 A N -0.720 122.058 122.820 -0.070 0.000 2.249 207 A HA 0.660 4.976 4.320 -0.006 0.000 0.281 207 A C 1.383 178.968 177.584 0.002 0.000 1.127 207 A CA 1.095 53.124 52.037 -0.014 0.000 0.833 207 A CB 0.125 19.138 19.000 0.022 0.000 1.140 207 A HN 1.112 nan 8.150 nan 0.000 0.502 208 Q N -1.001 118.842 119.800 0.071 0.000 2.405 208 Q HA -0.223 4.113 4.340 -0.006 0.000 0.265 208 Q C 1.021 177.096 176.000 0.126 0.000 1.096 208 Q CA 1.108 56.993 55.803 0.136 0.000 0.982 208 Q CB -1.254 27.603 28.738 0.197 0.000 1.426 208 Q HN 0.786 nan 8.270 nan 0.000 0.527 209 K N -0.653 119.787 120.400 0.066 0.000 2.077 209 K HA -0.172 4.144 4.320 -0.006 0.000 0.213 209 K C -0.639 176.039 176.600 0.131 0.000 1.051 209 K CA 1.920 58.257 56.287 0.083 0.000 0.929 209 K CB -1.009 31.518 32.500 0.046 0.000 0.715 209 K HN 0.323 nan 8.250 nan 0.000 0.451 210 P HA -0.142 nan 4.420 nan 0.000 0.216 210 P C 1.527 178.995 177.300 0.280 0.000 1.150 210 P CA 0.769 63.930 63.100 0.102 0.000 0.837 210 P CB 0.054 31.755 31.700 0.002 0.000 0.786 211 L N -0.155 121.298 121.223 0.384 0.000 2.027 211 L HA -0.142 4.194 4.340 -0.006 0.000 0.206 211 L C 2.261 179.322 176.870 0.317 0.000 1.074 211 L CA 2.264 57.341 54.840 0.395 0.000 0.745 211 L CB -1.346 40.891 42.059 0.296 0.000 0.898 211 L HN -0.008 nan 8.230 nan 0.000 0.433 212 S N -2.082 113.790 115.700 0.285 0.000 2.383 212 S HA -0.186 4.281 4.470 -0.006 0.000 0.227 212 S C 1.924 176.666 174.600 0.236 0.000 1.026 212 S CA 0.561 58.933 58.200 0.286 0.000 0.981 212 S CB -0.573 62.816 63.200 0.314 0.000 0.818 212 S HN 0.484 nan 8.310 nan 0.000 0.472 213 Q N 1.769 121.689 119.800 0.199 0.000 2.045 213 Q HA -0.081 4.255 4.340 -0.006 0.000 0.206 213 Q C 2.649 178.740 176.000 0.151 0.000 0.991 213 Q CA 2.008 57.901 55.803 0.149 0.000 0.851 213 Q CB -1.124 27.676 28.738 0.104 0.000 0.911 213 Q HN 0.726 nan 8.270 nan 0.000 0.418 214 A N 0.172 123.105 122.820 0.189 0.000 1.908 214 A HA -0.159 4.157 4.320 -0.006 0.000 0.218 214 A C 2.461 180.150 177.584 0.175 0.000 1.181 214 A CA 1.810 53.966 52.037 0.198 0.000 0.627 214 A CB -0.791 18.409 19.000 0.333 0.000 0.818 214 A HN 0.233 nan 8.150 nan 0.000 0.445 215 V N 0.289 120.330 119.914 0.213 0.000 2.287 215 V HA -0.303 3.813 4.120 -0.006 0.000 0.248 215 V C 2.554 178.745 176.094 0.162 0.000 1.053 215 V CA 2.482 64.913 62.300 0.218 0.000 1.027 215 V CB -0.696 31.332 31.823 0.342 0.000 0.646 215 V HN 0.727 nan 8.190 nan 0.000 0.447 216 K N -0.023 120.467 120.400 0.150 0.000 2.009 216 K HA -0.195 4.121 4.320 -0.006 0.000 0.210 216 K C 2.186 178.843 176.600 0.095 0.000 1.049 216 K CA 1.793 58.144 56.287 0.107 0.000 0.929 216 K CB -0.311 32.246 32.500 0.095 0.000 0.714 216 K HN 0.381 nan 8.250 nan 0.000 0.440 217 L N 1.179 122.462 121.223 0.100 0.000 2.013 217 L HA -0.266 4.070 4.340 -0.006 0.000 0.212 217 L C 2.779 179.708 176.870 0.099 0.000 1.073 217 L CA 2.017 56.916 54.840 0.098 0.000 0.753 217 L CB -0.626 41.493 42.059 0.100 0.000 0.890 217 L HN 0.475 nan 8.230 nan 0.000 0.432 218 M N -1.557 118.100 119.600 0.095 0.000 2.254 218 M HA -0.124 4.353 4.480 -0.006 0.000 0.265 218 M C 2.089 178.423 176.300 0.056 0.000 1.066 218 M CA 1.754 57.095 55.300 0.068 0.000 1.123 218 M CB -0.462 32.176 32.600 0.064 0.000 1.388 218 M HN 0.151 nan 8.290 nan 0.000 0.425 219 L N 0.694 121.968 121.223 0.084 0.000 2.109 219 L HA -0.073 4.263 4.340 -0.006 0.000 0.207 219 L C 2.426 179.332 176.870 0.060 0.000 1.086 219 L CA 1.234 56.123 54.840 0.083 0.000 0.760 219 L CB -0.648 41.465 42.059 0.091 0.000 0.910 219 L HN 0.407 nan 8.230 nan 0.000 0.437 220 E N 0.251 120.489 120.200 0.063 0.000 2.085 220 E HA -0.198 4.148 4.350 -0.006 0.000 0.194 220 E C 2.206 178.845 176.600 0.065 0.000 0.994 220 E CA 1.132 57.571 56.400 0.064 0.000 0.801 220 E CB -0.311 29.432 29.700 0.072 0.000 0.743 220 E HN 0.565 nan 8.360 nan 0.000 0.453 221 G N 1.369 110.196 108.800 0.045 0.000 2.446 221 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.217 221 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.217 221 G C 1.603 176.364 174.900 -0.231 0.000 1.168 221 G CA 0.747 45.810 45.100 -0.060 0.000 0.771 221 G HN 0.126 nan 8.290 nan 0.000 0.551 222 I N 0.628 121.109 120.570 -0.148 0.000 2.163 222 I HA -0.197 3.969 4.170 -0.006 0.000 0.243 222 I C 3.005 179.111 176.117 -0.019 0.000 1.085 222 I CA 1.612 62.846 61.300 -0.109 0.000 1.347 222 I CB -0.391 37.596 38.000 -0.023 0.000 1.044 222 I HN 0.111 nan 8.210 nan 0.000 0.408 223 T N 0.387 114.964 114.554 0.038 0.000 2.812 223 T HA -0.078 4.268 4.350 -0.006 0.000 0.264 223 T C 2.013 176.763 174.700 0.083 0.000 1.042 223 T CA 1.285 63.434 62.100 0.081 0.000 1.140 223 T CB -0.253 68.659 68.868 0.073 0.000 0.870 223 T HN 0.466 nan 8.240 nan 0.000 0.445 224 A N 1.874 124.748 122.820 0.090 0.000 2.024 224 A HA -0.122 4.194 4.320 -0.006 0.000 0.220 224 A C 2.473 180.169 177.584 0.187 0.000 1.164 224 A CA 2.065 54.189 52.037 0.145 0.000 0.643 224 A CB -0.854 18.281 19.000 0.226 0.000 0.806 224 A HN 0.617 nan 8.150 nan 0.000 0.451 225 S N -0.514 115.270 115.700 0.140 0.000 2.469 225 S HA -0.112 4.354 4.470 -0.006 0.000 0.238 225 S C 1.059 175.739 174.600 0.134 0.000 0.998 225 S CA 0.516 58.815 58.200 0.165 0.000 0.957 225 S CB -0.490 62.690 63.200 -0.034 0.000 0.764 225 S HN 0.588 nan 8.310 nan 0.000 0.514 226 R N 2.268 122.847 120.500 0.132 0.000 2.458 226 R HA 0.125 4.461 4.340 -0.006 0.000 0.303 226 R C 0.876 177.237 176.300 0.102 0.000 1.013 226 R CA 0.336 56.532 56.100 0.160 0.000 1.026 226 R CB -0.004 30.407 30.300 0.185 0.000 0.948 226 R HN 0.424 nan 8.270 nan 0.000 0.417 227 N N 1.999 120.760 118.700 0.102 0.000 2.166 227 N HA -0.165 4.571 4.740 -0.006 0.000 0.186 227 N C 1.125 176.627 175.510 -0.013 0.000 1.019 227 N CA 1.912 54.986 53.050 0.040 0.000 0.856 227 N CB 0.012 38.539 38.487 0.066 0.000 0.993 227 N HN 0.700 nan 8.380 nan 0.000 0.426 228 T N -0.952 113.612 114.554 0.016 0.000 3.072 228 T HA -0.004 4.342 4.350 -0.006 0.000 0.266 228 T C 1.744 176.427 174.700 -0.028 0.000 1.127 228 T CA 0.450 62.543 62.100 -0.011 0.000 1.107 228 T CB 0.068 68.933 68.868 -0.004 0.000 0.910 228 T HN 0.049 nan 8.240 nan 0.000 0.513 229 L N 0.448 121.661 121.223 -0.016 0.000 2.526 229 L HA 0.638 4.974 4.340 -0.006 0.000 0.210 229 L C 1.786 178.636 176.870 -0.033 0.000 1.048 229 L CA 0.424 55.253 54.840 -0.019 0.000 0.852 229 L CB -0.393 41.668 42.059 0.004 0.000 1.128 229 L HN 0.181 nan 8.230 nan 0.000 0.482 230 A N 0.391 123.197 122.820 -0.022 0.000 3.046 230 A HA 0.154 4.470 4.320 -0.006 0.000 0.259 230 A C 1.066 178.543 177.584 -0.179 0.000 1.843 230 A CA 0.219 52.230 52.037 -0.043 0.000 1.451 230 A CB -0.779 18.236 19.000 0.026 0.000 1.025 230 A HN 0.315 nan 8.150 nan 0.000 0.625 231 K N 0.325 120.585 120.400 -0.233 0.000 3.590 231 K HA 0.536 4.852 4.320 -0.006 0.000 0.170 231 K C -0.721 175.466 176.600 -0.688 0.000 1.138 231 K CA 0.563 56.534 56.287 -0.525 0.000 1.560 231 K CB 0.078 32.408 32.500 -0.282 0.000 2.149 231 K HN 0.263 nan 8.250 nan 0.000 0.487 232 F N 1.897 121.853 119.950 0.011 0.000 2.449 232 F HA 0.424 4.948 4.527 -0.006 0.000 0.329 232 F C -0.860 174.941 175.800 0.001 0.000 1.245 232 F CA -0.506 57.496 58.000 0.004 0.000 1.193 232 F CB 0.338 39.341 39.000 0.004 0.000 1.425 232 F HN -0.018 nan 8.300 nan 0.000 0.544 233 L N 2.557 123.852 121.223 0.120 0.000 2.341 233 L HA 0.526 4.862 4.340 -0.006 0.000 0.267 233 L C -0.885 176.021 176.870 0.060 0.000 1.009 233 L CA -1.749 53.139 54.840 0.080 0.000 0.819 233 L CB 1.766 43.852 42.059 0.044 0.000 1.323 233 L HN 0.069 nan 8.230 nan 0.000 0.425 234 P HA -0.097 nan 4.420 nan 0.000 0.215 234 P C 0.861 178.166 177.300 0.007 0.000 1.157 234 P CA 1.009 64.126 63.100 0.027 0.000 0.863 234 P CB 0.209 31.922 31.700 0.021 0.000 0.787 235 G N 0.536 109.337 108.800 0.001 0.000 3.530 235 G HA2 0.023 3.979 3.960 -0.006 0.000 0.269 235 G HA3 0.023 3.979 3.960 -0.006 0.000 0.269 235 G C 1.179 176.062 174.900 -0.027 0.000 1.314 235 G CA -0.266 44.828 45.100 -0.011 0.000 1.441 235 G HN 0.348 nan 8.290 nan 0.000 0.595 236 K N 0.111 120.486 120.400 -0.041 0.000 2.366 236 K HA 0.055 4.371 4.320 -0.006 0.000 0.198 236 K C 2.393 178.916 176.600 -0.129 0.000 1.044 236 K CA 0.236 56.470 56.287 -0.088 0.000 0.973 236 K CB -0.017 32.427 32.500 -0.094 0.000 0.767 236 K HN 0.266 nan 8.250 nan 0.000 0.475 237 R N 0.311 120.760 120.500 -0.085 0.000 2.090 237 R HA -0.079 4.257 4.340 -0.006 0.000 0.228 237 R C 2.251 178.508 176.300 -0.072 0.000 1.110 237 R CA 1.271 57.321 56.100 -0.084 0.000 0.973 237 R CB -0.100 30.169 30.300 -0.051 0.000 0.869 237 R HN 0.097 nan 8.270 nan 0.000 0.440 238 K N 1.197 121.568 120.400 -0.048 0.000 2.097 238 K HA -0.215 4.101 4.320 -0.006 0.000 0.205 238 K C 2.154 178.739 176.600 -0.025 0.000 1.050 238 K CA 1.415 57.684 56.287 -0.029 0.000 0.938 238 K CB 0.106 32.597 32.500 -0.015 0.000 0.718 238 K HN 0.125 nan 8.250 nan 0.000 0.442 239 Q N 0.378 120.152 119.800 -0.042 0.000 2.050 239 Q HA -0.171 4.166 4.340 -0.006 0.000 0.202 239 Q C 1.986 177.969 176.000 -0.029 0.000 0.980 239 Q CA 1.244 57.040 55.803 -0.012 0.000 0.840 239 Q CB -0.006 28.727 28.738 -0.008 0.000 0.898 239 Q HN 0.206 nan 8.270 nan 0.000 0.424 240 L N 0.845 121.951 121.223 -0.195 0.000 2.012 240 L HA -0.214 4.122 4.340 -0.006 0.000 0.210 240 L C 2.572 179.431 176.870 -0.019 0.000 1.073 240 L CA 1.781 56.483 54.840 -0.231 0.000 0.748 240 L CB -0.686 41.168 42.059 -0.341 0.000 0.891 240 L HN 0.200 nan 8.230 nan 0.000 0.431 241 R N -0.358 120.129 120.500 -0.022 0.000 2.075 241 R HA -0.100 4.236 4.340 -0.006 0.000 0.232 241 R C 2.103 178.424 176.300 0.036 0.000 1.126 241 R CA 1.130 57.236 56.100 0.009 0.000 0.963 241 R CB -0.425 29.871 30.300 -0.007 0.000 0.858 241 R HN 0.546 nan 8.270 nan 0.000 0.435 242 E N 0.331 120.555 120.200 0.040 0.000 2.150 242 E HA -0.104 4.243 4.350 -0.006 0.000 0.193 242 E C 2.029 178.682 176.600 0.089 0.000 0.985 242 E CA 1.030 57.461 56.400 0.051 0.000 0.814 242 E CB 0.094 29.822 29.700 0.047 0.000 0.752 242 E HN 0.063 nan 8.360 nan 0.000 0.466 243 V N 1.007 121.008 119.914 0.145 0.000 2.407 243 V HA -0.171 3.945 4.120 -0.006 0.000 0.245 243 V C 2.177 178.371 176.094 0.168 0.000 1.041 243 V CA 1.405 63.823 62.300 0.197 0.000 1.040 243 V CB -0.370 31.683 31.823 0.383 0.000 0.671 243 V HN 0.147 nan 8.190 nan 0.000 0.455 244 R N 0.102 120.706 120.500 0.173 0.000 2.105 244 R HA -0.232 4.104 4.340 -0.006 0.000 0.239 244 R C 2.311 178.661 176.300 0.084 0.000 1.135 244 R CA 1.903 58.077 56.100 0.123 0.000 0.967 244 R CB -0.243 30.119 30.300 0.103 0.000 0.861 244 R HN 0.527 nan 8.270 nan 0.000 0.442 245 E N 0.248 120.491 120.200 0.072 0.000 2.107 245 E HA -0.083 4.263 4.350 -0.006 0.000 0.191 245 E C 1.789 178.440 176.600 0.085 0.000 0.982 245 E CA 1.291 57.724 56.400 0.054 0.000 0.809 245 E CB 0.144 29.858 29.700 0.023 0.000 0.756 245 E HN 0.105 nan 8.360 nan 0.000 0.459 246 S N 0.016 115.773 115.700 0.095 0.000 2.368 246 S HA -0.111 4.356 4.470 -0.006 0.000 0.225 246 S C 1.892 176.569 174.600 0.129 0.000 1.030 246 S CA 1.108 59.391 58.200 0.139 0.000 0.999 246 S CB -0.236 63.038 63.200 0.122 0.000 0.844 246 S HN 0.295 nan 8.310 nan 0.000 0.459 247 I N 1.155 121.771 120.570 0.077 0.000 2.252 247 I HA -0.185 3.981 4.170 -0.006 0.000 0.245 247 I C 2.655 178.774 176.117 0.003 0.000 1.102 247 I CA 1.158 62.472 61.300 0.023 0.000 1.385 247 I CB -0.338 37.675 38.000 0.021 0.000 1.064 247 I HN 0.187 nan 8.210 nan 0.000 0.414 248 R N 0.243 120.765 120.500 0.037 0.000 2.081 248 R HA -0.189 4.147 4.340 -0.006 0.000 0.235 248 R C 2.384 178.708 176.300 0.041 0.000 1.131 248 R CA 1.717 57.831 56.100 0.023 0.000 0.960 248 R CB -0.556 29.765 30.300 0.034 0.000 0.856 248 R HN 0.315 nan 8.270 nan 0.000 0.436 249 F N 1.295 121.195 119.950 -0.083 0.000 2.065 249 F HA -0.301 4.222 4.527 -0.006 0.000 0.298 249 F C 2.174 177.867 175.800 -0.179 0.000 1.112 249 F CA 1.208 59.142 58.000 -0.110 0.000 1.212 249 F CB -0.166 38.786 39.000 -0.080 0.000 0.975 249 F HN -0.010 nan 8.300 nan 0.000 0.476 250 L N 1.325 122.353 121.223 -0.325 0.000 2.012 250 L HA -0.203 4.133 4.340 -0.006 0.000 0.210 250 L C 2.411 179.008 176.870 -0.455 0.000 1.073 250 L CA 1.818 56.341 54.840 -0.529 0.000 0.748 250 L CB -0.871 40.987 42.059 -0.335 0.000 0.891 250 L HN 0.080 nan 8.230 nan 0.000 0.431 251 R N -1.143 119.187 120.500 -0.284 0.000 2.120 251 R HA -0.187 4.150 4.340 -0.006 0.000 0.234 251 R C 2.238 178.308 176.300 -0.383 0.000 1.123 251 R CA 1.212 57.150 56.100 -0.270 0.000 0.975 251 R CB -0.336 29.874 30.300 -0.150 0.000 0.866 251 R HN 0.419 nan 8.270 nan 0.000 0.446 252 Q N 0.935 120.527 119.800 -0.346 0.000 2.079 252 Q HA -0.092 4.244 4.340 -0.006 0.000 0.200 252 Q C 1.980 177.678 176.000 -0.503 0.000 0.974 252 Q CA 1.555 57.164 55.803 -0.322 0.000 0.840 252 Q CB -0.255 28.383 28.738 -0.166 0.000 0.898 252 Q HN 0.107 nan 8.270 nan 0.000 0.430 253 V N 0.477 119.947 119.914 -0.739 0.000 2.278 253 V HA -0.323 3.793 4.120 -0.006 0.000 0.251 253 V C 2.224 177.534 176.094 -1.307 0.000 1.062 253 V CA 2.121 63.812 62.300 -1.014 0.000 1.038 253 V CB -1.571 29.499 31.823 -1.254 0.000 0.646 253 V HN 0.618 nan 8.190 nan 0.000 0.447 254 G N -0.380 107.486 108.800 -1.558 0.000 2.476 254 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.218 254 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.218 254 G C 1.714 176.026 174.900 -0.979 0.000 1.164 254 G CA 1.015 44.839 45.100 -2.127 0.000 0.768 254 G HN 0.480 nan 8.290 nan 0.000 0.560 255 R N 0.298 120.437 120.500 -0.602 0.000 2.096 255 R HA -0.035 4.301 4.340 -0.006 0.000 0.235 255 R C 2.229 178.387 176.300 -0.238 0.000 1.127 255 R CA 1.376 57.279 56.100 -0.327 0.000 0.968 255 R CB -0.241 29.926 30.300 -0.223 0.000 0.861 255 R HN 0.273 nan 8.270 nan 0.000 0.440 256 D N -0.345 119.903 120.400 -0.254 0.000 2.097 256 D HA -0.176 4.460 4.640 -0.006 0.000 0.195 256 D C 1.663 178.008 176.300 0.075 0.000 0.989 256 D CA 1.006 54.963 54.000 -0.071 0.000 0.827 256 D CB -0.206 40.581 40.800 -0.022 0.000 0.966 256 D HN 0.252 nan 8.370 nan 0.000 0.456 257 W N 1.055 122.172 121.300 -0.306 0.000 2.418 257 W HA -0.007 4.649 4.660 -0.007 0.000 0.292 257 W C 2.392 178.817 176.519 -0.156 0.000 1.213 257 W CA -0.051 57.162 57.345 -0.219 0.000 1.283 257 W CB -1.192 28.103 29.460 -0.275 0.000 1.119 257 W HN -0.160 nan 8.180 nan 0.000 0.542 258 V N 0.409 120.323 119.914 0.000 0.000 2.407 258 V HA -0.307 3.809 4.120 -0.006 0.000 0.248 258 V C 2.421 178.522 176.094 0.013 0.000 1.055 258 V CA 2.249 64.554 62.300 0.008 0.000 1.049 258 V CB -0.891 30.898 31.823 -0.057 0.000 0.662 258 V HN 0.099 nan 8.190 nan 0.000 0.455 259 Q N 0.821 120.616 119.800 -0.009 0.000 2.030 259 Q HA -0.213 4.124 4.340 -0.006 0.000 0.204 259 Q C 2.283 178.290 176.000 0.011 0.000 0.986 259 Q CA 1.949 57.749 55.803 -0.005 0.000 0.843 259 Q CB -0.413 28.315 28.738 -0.017 0.000 0.904 259 Q HN 0.540 nan 8.270 nan 0.000 0.420 260 R N -0.330 120.185 120.500 0.025 0.000 2.113 260 R HA -0.219 4.117 4.340 -0.006 0.000 0.244 260 R C 2.426 178.733 176.300 0.011 0.000 1.142 260 R CA 1.771 57.879 56.100 0.013 0.000 0.953 260 R CB -0.450 29.849 30.300 -0.001 0.000 0.860 260 R HN 0.172 nan 8.270 nan 0.000 0.438 261 R N 1.340 121.858 120.500 0.029 0.000 2.081 261 R HA -0.080 4.256 4.340 -0.006 0.000 0.235 261 R C 2.049 178.360 176.300 0.019 0.000 1.131 261 R CA 1.634 57.753 56.100 0.031 0.000 0.960 261 R CB -0.281 30.058 30.300 0.066 0.000 0.856 261 R HN 0.134 nan 8.270 nan 0.000 0.436 262 R N 0.037 120.548 120.500 0.017 0.000 2.096 262 R HA -0.070 4.266 4.340 -0.006 0.000 0.235 262 R C 2.006 178.308 176.300 0.003 0.000 1.127 262 R CA 1.432 57.538 56.100 0.009 0.000 0.968 262 R CB -0.147 30.156 30.300 0.006 0.000 0.861 262 R HN 0.253 nan 8.270 nan 0.000 0.440 263 E N 0.490 120.691 120.200 0.002 0.000 2.072 263 E HA -0.112 4.234 4.350 -0.006 0.000 0.191 263 E C 1.992 178.590 176.600 -0.003 0.000 0.985 263 E CA 1.220 57.619 56.400 -0.001 0.000 0.801 263 E CB -0.237 29.462 29.700 -0.002 0.000 0.750 263 E HN 0.314 nan 8.360 nan 0.000 0.452 264 A N 1.354 124.172 122.820 -0.004 0.000 1.908 264 A HA -0.158 4.158 4.320 -0.006 0.000 0.218 264 A C 2.390 179.970 177.584 -0.006 0.000 1.181 264 A CA 1.219 53.252 52.037 -0.007 0.000 0.627 264 A CB -0.749 18.246 19.000 -0.009 0.000 0.818 264 A HN 0.191 nan 8.150 nan 0.000 0.445 265 L N -0.877 120.344 121.223 -0.003 0.000 2.093 265 L HA -0.170 4.166 4.340 -0.006 0.000 0.208 265 L C 2.448 179.315 176.870 -0.005 0.000 1.085 265 L CA 1.530 56.368 54.840 -0.004 0.000 0.755 265 L CB -0.444 41.615 42.059 -0.001 0.000 0.904 265 L HN 0.354 nan 8.230 nan 0.000 0.435 266 K N 0.099 120.497 120.400 -0.004 0.000 2.283 266 K HA -0.087 4.229 4.320 -0.006 0.000 0.202 266 K C 1.845 178.442 176.600 -0.005 0.000 1.048 266 K CA 0.818 57.102 56.287 -0.004 0.000 0.948 266 K CB -0.015 32.483 32.500 -0.003 0.000 0.742 266 K HN 0.324 nan 8.250 nan 0.000 0.458 267 R N -0.287 120.209 120.500 -0.006 0.000 2.310 267 R HA 0.044 4.380 4.340 -0.006 0.000 0.202 267 R C 0.843 177.139 176.300 -0.008 0.000 0.933 267 R CA 0.515 56.611 56.100 -0.007 0.000 1.054 267 R CB 0.497 30.793 30.300 -0.007 0.000 0.985 267 R HN 0.330 nan 8.270 nan 0.000 0.489 268 G N 1.618 110.413 108.800 -0.008 0.000 2.143 268 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.249 268 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.249 268 G C -0.183 174.711 174.900 -0.011 0.000 0.981 268 G CA -0.085 45.009 45.100 -0.009 0.000 0.665 268 G HN 0.402 nan 8.290 nan 0.000 0.528 269 E N 0.496 120.689 120.200 -0.011 0.000 2.418 269 E HA 0.359 4.705 4.350 -0.006 0.000 0.261 269 E C 0.137 176.728 176.600 -0.015 0.000 1.070 269 E CA 0.214 56.605 56.400 -0.014 0.000 0.931 269 E CB 0.545 30.236 29.700 -0.015 0.000 0.954 269 E HN 0.526 nan 8.360 nan 0.000 0.439 270 E N 1.542 121.731 120.200 -0.018 0.000 2.073 270 E HA 0.187 4.533 4.350 -0.006 0.000 0.269 270 E C -0.782 175.803 176.600 -0.025 0.000 0.917 270 E CA -0.513 55.874 56.400 -0.021 0.000 0.757 270 E CB 1.219 30.905 29.700 -0.022 0.000 1.111 270 E HN 0.269 nan 8.360 nan 0.000 0.410 271 V N 1.446 121.345 119.914 -0.025 0.000 2.465 271 V HA 0.473 4.589 4.120 -0.006 0.000 0.279 271 V C -2.246 173.825 176.094 -0.038 0.000 1.045 271 V CA -2.054 60.228 62.300 -0.030 0.000 0.938 271 V CB 0.532 32.342 31.823 -0.022 0.000 0.986 271 V HN 0.429 nan 8.190 nan 0.000 0.467 272 P HA 0.373 nan 4.420 nan 0.000 0.269 272 P C -0.046 177.214 177.300 -0.066 0.000 1.209 272 P CA 0.164 63.227 63.100 -0.061 0.000 0.776 272 P CB 0.578 32.234 31.700 -0.073 0.000 0.876 273 A N 2.658 125.435 122.820 -0.072 0.000 2.488 273 A HA 0.408 4.724 4.320 -0.006 0.000 0.249 273 A C 0.203 177.719 177.584 -0.112 0.000 1.083 273 A CA 0.176 52.165 52.037 -0.080 0.000 0.768 273 A CB -0.317 18.637 19.000 -0.077 0.000 1.017 273 A HN 0.644 nan 8.150 nan 0.000 0.496 274 D N 0.766 121.092 120.400 -0.124 0.000 2.798 274 D HA 0.342 4.978 4.640 -0.006 0.000 0.308 274 D C 0.736 176.900 176.300 -0.227 0.000 1.187 274 D CA -0.702 53.189 54.000 -0.182 0.000 1.033 274 D CB 0.015 40.721 40.800 -0.158 0.000 1.445 274 D HN 0.199 nan 8.370 nan 0.000 0.550 275 I N -0.455 119.910 120.570 -0.341 0.000 2.194 275 I HA -0.243 3.923 4.170 -0.006 0.000 0.246 275 I C 2.223 178.179 176.117 -0.268 0.000 1.093 275 I CA 1.083 62.126 61.300 -0.427 0.000 1.355 275 I CB -0.272 37.341 38.000 -0.646 0.000 1.046 275 I HN 0.293 nan 8.210 nan 0.000 0.413 276 L N 0.547 121.677 121.223 -0.155 0.000 2.043 276 L HA -0.237 4.099 4.340 -0.006 0.000 0.212 276 L C 2.505 179.402 176.870 0.045 0.000 1.075 276 L CA 2.217 57.114 54.840 0.096 0.000 0.752 276 L CB -1.094 41.142 42.059 0.295 0.000 0.891 276 L HN 0.210 nan 8.230 nan 0.000 0.432 277 T N -0.632 113.913 114.554 -0.014 0.000 2.665 277 T HA -0.213 4.133 4.350 -0.006 0.000 0.268 277 T C 1.792 176.477 174.700 -0.024 0.000 1.035 277 T CA 1.676 63.765 62.100 -0.017 0.000 1.151 277 T CB -0.213 68.629 68.868 -0.044 0.000 0.862 277 T HN 0.404 nan 8.240 nan 0.000 0.438 278 Q N 0.719 120.483 119.800 -0.059 0.000 2.172 278 Q HA 0.093 4.429 4.340 -0.006 0.000 0.200 278 Q C 2.539 178.524 176.000 -0.026 0.000 0.964 278 Q CA 0.765 56.537 55.803 -0.053 0.000 0.855 278 Q CB -0.557 28.135 28.738 -0.076 0.000 0.918 278 Q HN 0.767 nan 8.270 nan 0.000 0.444 279 I N -2.898 117.662 120.570 -0.016 0.000 2.439 279 I HA -0.150 4.016 4.170 -0.006 0.000 0.251 279 I C 1.965 178.125 176.117 0.071 0.000 1.139 279 I CA 0.751 62.083 61.300 0.053 0.000 1.438 279 I CB -0.450 37.623 38.000 0.122 0.000 1.085 279 I HN -0.008 nan 8.210 nan 0.000 0.427 280 L N 1.256 122.517 121.223 0.064 0.000 2.017 280 L HA -0.194 4.142 4.340 -0.006 0.000 0.208 280 L C 2.747 179.634 176.870 0.028 0.000 1.073 280 L CA 1.638 56.509 54.840 0.052 0.000 0.745 280 L CB -0.639 41.447 42.059 0.047 0.000 0.894 280 L HN 0.218 nan 8.230 nan 0.000 0.432 281 K N 0.583 120.990 120.400 0.013 0.000 2.063 281 K HA -0.153 4.163 4.320 -0.006 0.000 0.208 281 K C 1.974 178.573 176.600 -0.001 0.000 1.048 281 K CA 1.628 57.915 56.287 -0.001 0.000 0.928 281 K CB -0.421 32.071 32.500 -0.014 0.000 0.713 281 K HN 0.254 nan 8.250 nan 0.000 0.442 282 A N 0.411 123.233 122.820 0.004 0.000 2.121 282 A HA -0.084 4.232 4.320 -0.006 0.000 0.218 282 A C 1.463 179.056 177.584 0.015 0.000 1.154 282 A CA 1.357 53.396 52.037 0.003 0.000 0.679 282 A CB -0.261 18.747 19.000 0.013 0.000 0.795 282 A HN 0.329 nan 8.150 nan 0.000 0.458 283 E N -0.307 119.909 120.200 0.026 0.000 2.451 283 E HA 0.031 4.377 4.350 -0.006 0.000 0.194 283 E C 0.880 177.491 176.600 0.018 0.000 1.027 283 E CA -0.104 56.313 56.400 0.029 0.000 0.914 283 E CB 0.031 29.756 29.700 0.042 0.000 1.054 283 E HN 0.713 nan 8.360 nan 0.000 0.461 284 E N 0.124 120.330 120.200 0.010 0.000 2.055 284 E HA -0.199 4.148 4.350 -0.006 0.000 0.209 284 E C 1.712 178.316 176.600 0.007 0.000 1.036 284 E CA 1.455 57.859 56.400 0.006 0.000 0.849 284 E CB -0.180 29.521 29.700 0.001 0.000 0.767 284 E HN 0.188 nan 8.360 nan 0.000 0.461 285 G N 0.413 109.217 108.800 0.006 0.000 3.124 285 G HA2 0.242 4.199 3.960 -0.006 0.000 0.212 285 G HA3 0.242 4.199 3.960 -0.006 0.000 0.212 285 G C 0.261 175.167 174.900 0.009 0.000 1.181 285 G CA 0.279 45.383 45.100 0.006 0.000 0.803 285 G HN 0.295 nan 8.290 nan 0.000 0.529 286 A N -0.181 122.646 122.820 0.012 0.000 2.445 286 A HA 0.396 4.712 4.320 -0.006 0.000 0.242 286 A C 1.449 179.040 177.584 0.012 0.000 1.075 286 A CA -0.152 51.894 52.037 0.015 0.000 0.777 286 A CB 0.571 19.583 19.000 0.020 0.000 1.013 286 A HN 0.222 nan 8.150 nan 0.000 0.493 287 Q N 0.407 120.215 119.800 0.012 0.000 2.245 287 Q HA 0.034 4.370 4.340 -0.006 0.000 0.201 287 Q C -0.203 175.801 176.000 0.007 0.000 0.955 287 Q CA 1.617 57.425 55.803 0.009 0.000 0.870 287 Q CB -0.158 28.586 28.738 0.010 0.000 0.945 287 Q HN 1.000 nan 8.270 nan 0.000 0.461 288 D N -2.408 117.997 120.400 0.008 0.000 2.759 288 D HA 0.136 4.772 4.640 -0.006 0.000 0.321 288 D C -0.478 175.826 176.300 0.006 0.000 1.267 288 D CA -0.586 53.417 54.000 0.004 0.000 0.933 288 D CB 0.000 40.802 40.800 0.002 0.000 1.431 288 D HN -0.386 nan 8.370 nan 0.000 0.504 289 D N -0.837 119.563 120.400 -0.001 0.000 2.340 289 D HA 0.017 4.653 4.640 -0.006 0.000 0.220 289 D C 1.028 177.331 176.300 0.005 0.000 1.039 289 D CA 0.192 54.192 54.000 -0.001 0.000 0.866 289 D CB 0.284 41.072 40.800 -0.020 0.000 0.913 289 D HN 0.300 nan 8.370 nan 0.000 0.523 290 E N 0.498 120.703 120.200 0.008 0.000 2.085 290 E HA -0.136 4.210 4.350 -0.006 0.000 0.194 290 E C 2.141 178.764 176.600 0.039 0.000 0.994 290 E CA 0.991 57.401 56.400 0.016 0.000 0.801 290 E CB -0.558 29.152 29.700 0.017 0.000 0.743 290 E HN 0.343 nan 8.360 nan 0.000 0.453 291 G N 1.429 110.257 108.800 0.047 0.000 2.421 291 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.216 291 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.216 291 G C 1.627 176.581 174.900 0.090 0.000 1.171 291 G CA 0.829 45.969 45.100 0.068 0.000 0.775 291 G HN 0.251 nan 8.290 nan 0.000 0.543 292 L N 0.672 121.941 121.223 0.077 0.000 1.989 292 L HA -0.003 4.333 4.340 -0.006 0.000 0.211 292 L C 2.706 179.655 176.870 0.132 0.000 1.071 292 L CA 1.581 56.481 54.840 0.101 0.000 0.749 292 L CB -0.597 41.500 42.059 0.064 0.000 0.890 292 L HN 0.231 nan 8.230 nan 0.000 0.431 293 L N -0.777 120.491 121.223 0.075 0.000 2.201 293 L HA -0.171 4.165 4.340 -0.006 0.000 0.212 293 L C 2.203 179.149 176.870 0.127 0.000 1.105 293 L CA 0.888 55.773 54.840 0.074 0.000 0.775 293 L CB -0.887 41.158 42.059 -0.024 0.000 0.913 293 L HN 0.288 nan 8.230 nan 0.000 0.440 294 D N 0.217 120.680 120.400 0.105 0.000 2.092 294 D HA -0.176 4.460 4.640 -0.006 0.000 0.193 294 D C 1.962 178.360 176.300 0.164 0.000 0.994 294 D CA 1.130 55.194 54.000 0.108 0.000 0.828 294 D CB -0.332 40.538 40.800 0.117 0.000 0.963 294 D HN 0.225 nan 8.370 nan 0.000 0.450 295 N N 0.162 119.001 118.700 0.232 0.000 2.149 295 N HA -0.150 4.586 4.740 -0.006 0.000 0.188 295 N C 1.706 177.494 175.510 0.463 0.000 1.019 295 N CA 0.331 53.599 53.050 0.364 0.000 0.857 295 N CB -0.526 38.197 38.487 0.393 0.000 0.997 295 N HN 0.229 nan 8.380 nan 0.000 0.426 296 F N 1.697 121.792 119.950 0.242 0.000 2.069 296 F HA -0.195 4.328 4.527 -0.006 0.000 0.298 296 F C 2.160 178.066 175.800 0.176 0.000 1.113 296 F CA 1.165 59.288 58.000 0.206 0.000 1.214 296 F CB -0.394 38.542 39.000 -0.106 0.000 0.978 296 F HN -0.212 nan 8.300 nan 0.000 0.474 297 V N 0.142 120.037 119.914 -0.031 0.000 2.407 297 V HA -0.317 3.799 4.120 -0.006 0.000 0.248 297 V C 2.327 178.279 176.094 -0.238 0.000 1.055 297 V CA 2.370 64.507 62.300 -0.272 0.000 1.049 297 V CB -1.073 30.559 31.823 -0.318 0.000 0.662 297 V HN 0.489 nan 8.190 nan 0.000 0.455 298 T N 0.158 114.679 114.554 -0.054 0.000 2.622 298 T HA -0.188 4.159 4.350 -0.006 0.000 0.266 298 T C 1.652 176.356 174.700 0.008 0.000 1.047 298 T CA 2.006 64.149 62.100 0.072 0.000 1.159 298 T CB -0.429 68.507 68.868 0.113 0.000 0.863 298 T HN 0.399 nan 8.240 nan 0.000 0.422 299 F N 0.231 120.284 119.950 0.171 0.000 2.171 299 F HA 0.069 4.592 4.527 -0.006 0.000 0.300 299 F C 1.987 177.899 175.800 0.186 0.000 1.090 299 F CA 0.710 58.812 58.000 0.171 0.000 1.293 299 F CB -0.573 38.522 39.000 0.159 0.000 1.013 299 F HN 0.108 nan 8.300 nan 0.000 0.486 300 F N 0.426 120.452 119.950 0.127 0.000 2.146 300 F HA -0.132 4.391 4.527 -0.007 0.000 0.298 300 F C 2.049 177.976 175.800 0.211 0.000 1.096 300 F CA 1.497 59.541 58.000 0.074 0.000 1.275 300 F CB -0.277 38.392 39.000 -0.552 0.000 1.008 300 F HN -0.139 nan 8.300 nan 0.000 0.480 301 I N -0.288 120.452 120.570 0.283 0.000 2.270 301 I HA -0.129 4.037 4.170 -0.006 0.000 0.239 301 I C 2.648 178.804 176.117 0.065 0.000 1.080 301 I CA 0.979 62.406 61.300 0.213 0.000 1.383 301 I CB -0.907 37.226 38.000 0.222 0.000 1.097 301 I HN 0.126 nan 8.210 nan 0.000 0.420 302 A N 0.817 123.698 122.820 0.103 0.000 1.972 302 A HA -0.122 4.194 4.320 -0.006 0.000 0.219 302 A C 2.246 179.814 177.584 -0.027 0.000 1.169 302 A CA 1.876 53.917 52.037 0.008 0.000 0.635 302 A CB -1.241 17.719 19.000 -0.066 0.000 0.810 302 A HN 0.504 nan 8.150 nan 0.000 0.446 303 G N -1.777 107.031 108.800 0.013 0.000 2.813 303 G HA2 0.063 4.020 3.960 -0.006 0.000 0.209 303 G HA3 0.063 4.020 3.960 -0.006 0.000 0.209 303 G C 1.146 176.084 174.900 0.065 0.000 1.150 303 G CA 1.099 46.193 45.100 -0.011 0.000 0.785 303 G HN 0.863 nan 8.290 nan 0.000 0.535 304 H N -1.330 117.713 119.070 -0.045 0.000 3.436 304 H HA 0.159 4.711 4.556 -0.006 0.000 0.244 304 H C 1.731 177.065 175.328 0.009 0.000 1.009 304 H CA 0.768 56.806 56.048 -0.017 0.000 1.129 304 H CB 0.119 29.835 29.762 -0.077 0.000 1.473 304 H HN 0.279 nan 8.280 nan 0.000 0.510 305 E N 2.542 122.334 120.200 -0.679 0.000 2.047 305 E HA -0.117 4.229 4.350 -0.006 0.000 0.191 305 E C 2.245 178.749 176.600 -0.160 0.000 0.987 305 E CA 2.888 58.978 56.400 -0.516 0.000 0.799 305 E CB -0.308 29.159 29.700 -0.388 0.000 0.752 305 E HN 0.514 nan 8.360 nan 0.000 0.449 306 T N -2.048 112.454 114.554 -0.087 0.000 2.821 306 T HA -0.074 4.272 4.350 -0.006 0.000 0.267 306 T C 2.163 176.902 174.700 0.065 0.000 1.046 306 T CA 1.426 63.526 62.100 -0.001 0.000 1.139 306 T CB -0.585 68.275 68.868 -0.013 0.000 0.871 306 T HN 0.036 nan 8.240 nan 0.000 0.454 307 S N 1.923 117.671 115.700 0.080 0.000 2.382 307 S HA 0.124 4.590 4.470 -0.006 0.000 0.228 307 S C 2.630 177.286 174.600 0.093 0.000 1.027 307 S CA 0.928 59.216 58.200 0.147 0.000 0.991 307 S CB -0.809 62.482 63.200 0.151 0.000 0.823 307 S HN 0.774 nan 8.310 nan 0.000 0.469 308 A N 2.429 125.271 122.820 0.037 0.000 1.877 308 A HA -0.163 4.153 4.320 -0.006 0.000 0.216 308 A C 1.850 179.402 177.584 -0.052 0.000 1.186 308 A CA 1.699 53.731 52.037 -0.008 0.000 0.620 308 A CB -0.948 18.049 19.000 -0.006 0.000 0.822 308 A HN 0.635 nan 8.150 nan 0.000 0.443 309 N N -1.280 117.397 118.700 -0.039 0.000 2.061 309 N HA -0.268 4.468 4.740 -0.006 0.000 0.193 309 N C 1.886 177.425 175.510 0.048 0.000 1.030 309 N CA 1.597 54.596 53.050 -0.085 0.000 0.856 309 N CB -0.364 38.140 38.487 0.028 0.000 1.023 309 N HN 0.731 nan 8.380 nan 0.000 0.424 310 H N 1.221 120.344 119.070 0.089 0.000 2.357 310 H HA 0.038 4.590 4.556 -0.006 0.000 0.301 310 H C 1.933 177.318 175.328 0.095 0.000 1.082 310 H CA 1.241 57.392 56.048 0.172 0.000 1.342 310 H CB -0.423 29.400 29.762 0.102 0.000 1.389 310 H HN 0.136 nan 8.280 nan 0.000 0.511 311 L N -0.232 120.912 121.223 -0.132 0.000 2.012 311 L HA -0.188 4.148 4.340 -0.006 0.000 0.210 311 L C 2.886 179.642 176.870 -0.191 0.000 1.073 311 L CA 1.316 56.026 54.840 -0.216 0.000 0.748 311 L CB -0.780 41.189 42.059 -0.150 0.000 0.891 311 L HN 0.436 nan 8.230 nan 0.000 0.431 312 A N -0.210 122.493 122.820 -0.195 0.000 1.858 312 A HA -0.204 4.112 4.320 -0.006 0.000 0.216 312 A C 2.037 179.454 177.584 -0.279 0.000 1.190 312 A CA 1.415 53.285 52.037 -0.279 0.000 0.617 312 A CB -0.874 17.915 19.000 -0.353 0.000 0.827 312 A HN 0.269 nan 8.150 nan 0.000 0.443 313 F N 0.997 120.829 119.950 -0.197 0.000 2.115 313 F HA -0.211 4.313 4.527 -0.006 0.000 0.300 313 F C 2.770 178.409 175.800 -0.268 0.000 1.092 313 F CA 1.937 59.760 58.000 -0.295 0.000 1.245 313 F CB -1.202 37.670 39.000 -0.213 0.000 0.995 313 F HN 0.170 nan 8.300 nan 0.000 0.481 314 T N -0.700 113.860 114.554 0.010 0.000 2.812 314 T HA -0.092 4.255 4.350 -0.006 0.000 0.264 314 T C 2.288 176.902 174.700 -0.144 0.000 1.042 314 T CA 1.274 63.345 62.100 -0.048 0.000 1.140 314 T CB -0.559 68.248 68.868 -0.103 0.000 0.870 314 T HN 0.034 nan 8.240 nan 0.000 0.445 315 V N 1.920 121.709 119.914 -0.209 0.000 2.358 315 V HA -0.159 3.957 4.120 -0.006 0.000 0.246 315 V C 2.461 178.407 176.094 -0.247 0.000 1.047 315 V CA 1.655 63.777 62.300 -0.297 0.000 1.035 315 V CB -0.621 30.937 31.823 -0.442 0.000 0.658 315 V HN 0.484 nan 8.190 nan 0.000 0.452 316 M N 0.091 119.556 119.600 -0.226 0.000 2.108 316 M HA -0.238 4.238 4.480 -0.006 0.000 0.261 316 M C 2.203 178.475 176.300 -0.047 0.000 1.066 316 M CA 2.465 57.648 55.300 -0.196 0.000 1.107 316 M CB -0.124 32.333 32.600 -0.239 0.000 1.356 316 M HN 0.393 nan 8.290 nan 0.000 0.406 317 E N 0.511 120.649 120.200 -0.103 0.000 2.107 317 E HA -0.105 4.241 4.350 -0.006 0.000 0.191 317 E C 1.816 178.309 176.600 -0.178 0.000 0.982 317 E CA 1.266 57.585 56.400 -0.135 0.000 0.809 317 E CB -0.515 28.953 29.700 -0.386 0.000 0.756 317 E HN 0.647 nan 8.360 nan 0.000 0.459 318 L N 0.850 121.969 121.223 -0.174 0.000 2.191 318 L HA -0.135 4.201 4.340 -0.006 0.000 0.212 318 L C 2.385 179.255 176.870 -0.000 0.000 1.103 318 L CA 1.222 56.011 54.840 -0.086 0.000 0.769 318 L CB -0.633 41.395 42.059 -0.051 0.000 0.908 318 L HN 0.235 nan 8.230 nan 0.000 0.438 319 S N 0.896 116.607 115.700 0.018 0.000 2.465 319 S HA -0.210 4.256 4.470 -0.006 0.000 0.241 319 S C 1.680 176.350 174.600 0.115 0.000 1.000 319 S CA 1.000 59.248 58.200 0.079 0.000 0.964 319 S CB -0.380 62.862 63.200 0.070 0.000 0.763 319 S HN 0.674 nan 8.310 nan 0.000 0.512 320 R N -0.229 120.332 120.500 0.102 0.000 2.577 320 R HA 0.343 4.679 4.340 -0.006 0.000 0.344 320 R C -0.151 176.157 176.300 0.013 0.000 1.037 320 R CA -0.420 55.712 56.100 0.053 0.000 1.102 320 R CB 0.131 30.417 30.300 -0.024 0.000 1.313 320 R HN 0.223 nan 8.270 nan 0.000 0.561 321 Q N 1.548 121.367 119.800 0.031 0.000 2.831 321 Q HA 0.193 4.529 4.340 -0.006 0.000 0.366 321 Q C -2.042 174.013 176.000 0.091 0.000 0.899 321 Q CA -1.757 54.083 55.803 0.062 0.000 0.987 321 Q CB 1.791 30.569 28.738 0.067 0.000 1.382 321 Q HN 0.170 nan 8.270 nan 0.000 0.403 322 P HA -0.186 nan 4.420 nan 0.000 0.216 322 P C 0.489 177.844 177.300 0.092 0.000 1.150 322 P CA 1.337 64.487 63.100 0.083 0.000 0.837 322 P CB 0.661 32.401 31.700 0.066 0.000 0.786 323 E N 0.037 120.293 120.200 0.093 0.000 2.072 323 E HA -0.088 4.258 4.350 -0.006 0.000 0.191 323 E C 2.248 178.926 176.600 0.131 0.000 0.985 323 E CA 0.933 57.389 56.400 0.093 0.000 0.801 323 E CB -0.983 28.767 29.700 0.083 0.000 0.750 323 E HN 0.312 nan 8.360 nan 0.000 0.452 324 I N -0.038 120.644 120.570 0.188 0.000 2.252 324 I HA -0.226 3.940 4.170 -0.006 0.000 0.245 324 I C 2.037 178.323 176.117 0.281 0.000 1.102 324 I CA 0.589 62.070 61.300 0.301 0.000 1.385 324 I CB -0.181 38.023 38.000 0.340 0.000 1.064 324 I HN -0.005 nan 8.210 nan 0.000 0.414 325 V N 1.189 121.218 119.914 0.192 0.000 2.332 325 V HA -0.345 3.771 4.120 -0.006 0.000 0.248 325 V C 2.735 178.914 176.094 0.142 0.000 1.055 325 V CA 2.150 64.547 62.300 0.161 0.000 1.038 325 V CB -1.050 30.852 31.823 0.131 0.000 0.651 325 V HN 0.515 nan 8.190 nan 0.000 0.450 326 A N -0.138 122.751 122.820 0.114 0.000 1.902 326 A HA -0.259 4.057 4.320 -0.006 0.000 0.217 326 A C 2.415 180.041 177.584 0.070 0.000 1.181 326 A CA 2.085 54.170 52.037 0.081 0.000 0.623 326 A CB -0.556 18.480 19.000 0.060 0.000 0.818 326 A HN 0.504 nan 8.150 nan 0.000 0.443 327 R N -0.463 120.078 120.500 0.068 0.000 2.092 327 R HA 0.001 4.338 4.340 -0.006 0.000 0.231 327 R C 1.909 178.264 176.300 0.092 0.000 1.119 327 R CA 1.172 57.265 56.100 -0.013 0.000 0.970 327 R CB -0.380 29.803 30.300 -0.195 0.000 0.864 327 R HN 0.498 nan 8.270 nan 0.000 0.440 328 L N 0.661 122.039 121.223 0.258 0.000 2.046 328 L HA -0.219 4.117 4.340 -0.006 0.000 0.208 328 L C 2.581 179.545 176.870 0.156 0.000 1.077 328 L CA 1.648 56.651 54.840 0.271 0.000 0.747 328 L CB -0.375 41.825 42.059 0.236 0.000 0.896 328 L HN 0.289 nan 8.230 nan 0.000 0.432 329 Q N -0.510 119.364 119.800 0.122 0.000 2.124 329 Q HA -0.177 4.160 4.340 -0.006 0.000 0.202 329 Q C 2.437 178.479 176.000 0.071 0.000 0.977 329 Q CA 1.459 57.318 55.803 0.093 0.000 0.850 329 Q CB -0.291 28.498 28.738 0.085 0.000 0.901 329 Q HN 0.579 nan 8.270 nan 0.000 0.429 330 A N 1.379 124.233 122.820 0.056 0.000 1.873 330 A HA -0.261 4.055 4.320 -0.006 0.000 0.215 330 A C 1.979 179.586 177.584 0.039 0.000 1.186 330 A CA 1.591 53.648 52.037 0.034 0.000 0.616 330 A CB -0.577 18.427 19.000 0.008 0.000 0.823 330 A HN 0.454 nan 8.150 nan 0.000 0.442 331 E N -0.125 120.106 120.200 0.052 0.000 2.049 331 E HA -0.180 4.166 4.350 -0.006 0.000 0.198 331 E C 1.884 178.523 176.600 0.065 0.000 1.007 331 E CA 1.771 58.210 56.400 0.064 0.000 0.809 331 E CB -0.280 29.487 29.700 0.112 0.000 0.749 331 E HN 0.240 nan 8.360 nan 0.000 0.450 332 V N 1.978 121.937 119.914 0.076 0.000 2.250 332 V HA -0.333 3.783 4.120 -0.006 0.000 0.250 332 V C 1.995 178.121 176.094 0.054 0.000 1.060 332 V CA 2.411 64.751 62.300 0.067 0.000 1.030 332 V CB -0.605 31.262 31.823 0.075 0.000 0.643 332 V HN 0.394 nan 8.190 nan 0.000 0.445 333 D N -0.815 119.615 120.400 0.050 0.000 2.097 333 D HA -0.200 4.436 4.640 -0.006 0.000 0.195 333 D C 2.151 178.472 176.300 0.035 0.000 0.989 333 D CA 1.636 55.661 54.000 0.041 0.000 0.827 333 D CB -0.248 40.574 40.800 0.037 0.000 0.966 333 D HN 0.646 nan 8.370 nan 0.000 0.456 334 E N 0.387 120.606 120.200 0.033 0.000 2.058 334 E HA -0.167 4.179 4.350 -0.006 0.000 0.194 334 E C 2.108 178.726 176.600 0.029 0.000 0.997 334 E CA 1.575 57.991 56.400 0.028 0.000 0.801 334 E CB 0.187 29.901 29.700 0.024 0.000 0.746 334 E HN 0.214 nan 8.360 nan 0.000 0.450 335 V N -0.310 119.625 119.914 0.034 0.000 2.825 335 V HA 0.044 4.160 4.120 -0.006 0.000 0.246 335 V C 1.881 177.995 176.094 0.033 0.000 1.068 335 V CA 1.067 63.385 62.300 0.031 0.000 1.088 335 V CB -0.198 31.642 31.823 0.029 0.000 0.733 335 V HN 0.470 nan 8.190 nan 0.000 0.468 336 I N -2.597 117.997 120.570 0.039 0.000 4.227 336 I HA 0.685 4.851 4.170 -0.006 0.000 0.334 336 I C 1.429 177.573 176.117 0.044 0.000 1.341 336 I CA 0.423 61.749 61.300 0.045 0.000 1.123 336 I CB 0.044 38.076 38.000 0.054 0.000 1.097 336 I HN 0.413 nan 8.210 nan 0.000 0.399 337 G N 3.196 112.020 108.800 0.039 0.000 2.622 337 G HA2 -0.422 3.534 3.960 -0.006 0.000 0.307 337 G HA3 -0.422 3.534 3.960 -0.006 0.000 0.307 337 G C 0.664 175.587 174.900 0.038 0.000 1.226 337 G CA 1.175 46.296 45.100 0.035 0.000 0.997 337 G HN 0.866 nan 8.290 nan 0.000 0.551 338 S N 0.531 116.250 115.700 0.033 0.000 2.575 338 S HA 0.421 4.887 4.470 -0.006 0.000 0.237 338 S C 0.676 175.296 174.600 0.033 0.000 0.975 338 S CA 0.568 58.788 58.200 0.033 0.000 0.960 338 S CB 0.253 63.467 63.200 0.024 0.000 0.822 338 S HN 0.730 nan 8.310 nan 0.000 0.472 339 K N 1.115 121.540 120.400 0.041 0.000 2.494 339 K HA 0.087 4.403 4.320 -0.006 0.000 0.273 339 K C 1.061 177.697 176.600 0.061 0.000 0.970 339 K CA -0.148 56.167 56.287 0.047 0.000 0.963 339 K CB 0.330 32.869 32.500 0.066 0.000 0.913 339 K HN 0.109 nan 8.250 nan 0.000 0.502 340 R N 1.257 121.781 120.500 0.041 0.000 2.112 340 R HA 0.066 4.402 4.340 -0.006 0.000 0.216 340 R C -0.028 176.418 176.300 0.244 0.000 1.080 340 R CA 1.269 57.391 56.100 0.037 0.000 0.996 340 R CB 0.306 30.521 30.300 -0.141 0.000 0.902 340 R HN 0.593 nan 8.270 nan 0.000 0.449 341 Y N -0.057 120.264 120.300 0.035 0.000 2.446 341 Y HA 0.362 4.908 4.550 -0.006 0.000 0.338 341 Y C -0.637 175.290 175.900 0.045 0.000 1.055 341 Y CA -1.779 56.346 58.100 0.042 0.000 1.101 341 Y CB 1.621 40.103 38.460 0.037 0.000 1.221 341 Y HN -0.174 nan 8.280 nan 0.000 0.460 342 L N 3.248 124.578 121.223 0.178 0.000 2.350 342 L HA 0.210 4.546 4.340 -0.006 0.000 0.275 342 L C 0.018 176.950 176.870 0.103 0.000 1.099 342 L CA -0.021 54.885 54.840 0.109 0.000 0.808 342 L CB 0.326 42.427 42.059 0.070 0.000 1.149 342 L HN 0.532 nan 8.230 nan 0.000 0.442 343 D N 0.882 121.340 120.400 0.098 0.000 2.277 343 D HA 0.077 4.713 4.640 -0.006 0.000 0.250 343 D C 0.820 177.197 176.300 0.128 0.000 1.032 343 D CA -0.375 53.694 54.000 0.115 0.000 0.947 343 D CB 1.388 42.251 40.800 0.105 0.000 1.159 343 D HN 0.436 nan 8.370 nan 0.000 0.460 344 F N 1.505 121.468 119.950 0.022 0.000 2.154 344 F HA -0.228 4.295 4.527 -0.007 0.000 0.301 344 F C 2.249 178.067 175.800 0.030 0.000 1.087 344 F CA 1.807 59.821 58.000 0.024 0.000 1.274 344 F CB 0.161 39.167 39.000 0.011 0.000 1.009 344 F HN 0.473 nan 8.300 nan 0.000 0.485 345 E N -0.733 119.496 120.200 0.049 0.000 2.204 345 E HA -0.218 4.128 4.350 -0.006 0.000 0.194 345 E C 1.495 178.034 176.600 -0.102 0.000 0.989 345 E CA 1.370 57.744 56.400 -0.043 0.000 0.824 345 E CB -0.653 29.079 29.700 0.055 0.000 0.756 345 E HN 0.398 nan 8.360 nan 0.000 0.477 346 D N 1.381 121.746 120.400 -0.059 0.000 2.178 346 D HA -0.126 4.510 4.640 -0.006 0.000 0.201 346 D C 2.139 178.388 176.300 -0.086 0.000 0.980 346 D CA 0.864 54.839 54.000 -0.042 0.000 0.842 346 D CB -0.119 40.682 40.800 0.003 0.000 0.948 346 D HN 0.294 nan 8.370 nan 0.000 0.472 347 L N 0.637 121.755 121.223 -0.175 0.000 2.046 347 L HA -0.088 4.248 4.340 -0.006 0.000 0.208 347 L C 2.643 179.421 176.870 -0.154 0.000 1.077 347 L CA 1.379 56.117 54.840 -0.171 0.000 0.747 347 L CB -0.772 41.132 42.059 -0.258 0.000 0.896 347 L HN 0.081 nan 8.230 nan 0.000 0.432 348 G N -0.086 108.585 108.800 -0.215 0.000 2.450 348 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.220 348 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.220 348 G C 1.677 176.542 174.900 -0.060 0.000 1.130 348 G CA 0.403 45.422 45.100 -0.135 0.000 0.760 348 G HN 0.351 nan 8.290 nan 0.000 0.557 349 R N -0.426 120.045 120.500 -0.048 0.000 2.299 349 R HA 0.215 4.551 4.340 -0.006 0.000 0.197 349 R C 0.612 176.921 176.300 0.014 0.000 0.971 349 R CA -0.132 55.963 56.100 -0.008 0.000 1.030 349 R CB -0.059 30.241 30.300 -0.001 0.000 0.932 349 R HN 0.286 nan 8.270 nan 0.000 0.477 350 L N 2.206 123.432 121.223 0.006 0.000 2.533 350 L HA 0.063 4.399 4.340 -0.006 0.000 0.239 350 L C 1.882 178.781 176.870 0.049 0.000 1.376 350 L CA -0.053 54.809 54.840 0.036 0.000 1.240 350 L CB -0.050 42.023 42.059 0.023 0.000 1.487 350 L HN 0.218 nan 8.230 nan 0.000 0.419 351 Q N 0.797 120.638 119.800 0.068 0.000 2.050 351 Q HA -0.266 4.070 4.340 -0.006 0.000 0.202 351 Q C 1.905 177.976 176.000 0.119 0.000 0.980 351 Q CA 1.954 57.805 55.803 0.080 0.000 0.840 351 Q CB -0.097 28.693 28.738 0.086 0.000 0.898 351 Q HN 0.703 nan 8.270 nan 0.000 0.424 352 Y N 0.247 120.564 120.300 0.027 0.000 2.242 352 Y HA -0.220 4.326 4.550 -0.006 0.000 0.291 352 Y C 2.027 177.951 175.900 0.040 0.000 1.137 352 Y CA 1.036 59.157 58.100 0.035 0.000 1.181 352 Y CB 0.041 38.524 38.460 0.039 0.000 0.989 352 Y HN 0.306 nan 8.280 nan 0.000 0.527 353 L N -0.454 120.781 121.223 0.020 0.000 2.046 353 L HA -0.168 4.168 4.340 -0.006 0.000 0.208 353 L C 2.592 179.417 176.870 -0.075 0.000 1.077 353 L CA 2.198 57.011 54.840 -0.045 0.000 0.747 353 L CB -1.283 40.791 42.059 0.024 0.000 0.896 353 L HN 0.252 nan 8.230 nan 0.000 0.432 354 S N -1.057 114.620 115.700 -0.039 0.000 2.374 354 S HA -0.279 4.187 4.470 -0.006 0.000 0.227 354 S C 1.954 176.487 174.600 -0.112 0.000 1.037 354 S CA 1.785 59.959 58.200 -0.044 0.000 1.024 354 S CB -0.226 62.965 63.200 -0.014 0.000 0.861 354 S HN 0.706 nan 8.310 nan 0.000 0.456 355 Q N -0.132 119.582 119.800 -0.143 0.000 2.084 355 Q HA -0.064 4.272 4.340 -0.006 0.000 0.202 355 Q C 2.308 178.143 176.000 -0.275 0.000 0.978 355 Q CA 1.705 57.398 55.803 -0.183 0.000 0.844 355 Q CB -0.294 28.369 28.738 -0.124 0.000 0.898 355 Q HN 0.451 nan 8.270 nan 0.000 0.426 356 V N 1.183 120.904 119.914 -0.322 0.000 2.343 356 V HA -0.262 3.855 4.120 -0.006 0.000 0.247 356 V C 2.188 178.273 176.094 -0.014 0.000 1.051 356 V CA 1.555 63.739 62.300 -0.193 0.000 1.036 356 V CB -0.494 31.233 31.823 -0.160 0.000 0.654 356 V HN 0.339 nan 8.190 nan 0.000 0.451 357 L N -0.628 120.587 121.223 -0.013 0.000 2.046 357 L HA -0.201 4.135 4.340 -0.006 0.000 0.208 357 L C 2.597 179.516 176.870 0.082 0.000 1.077 357 L CA 1.721 56.645 54.840 0.139 0.000 0.747 357 L CB -0.596 41.555 42.059 0.154 0.000 0.896 357 L HN 0.270 nan 8.230 nan 0.000 0.432 358 K N -0.200 120.083 120.400 -0.194 0.000 2.063 358 K HA -0.249 4.067 4.320 -0.006 0.000 0.208 358 K C 2.074 178.338 176.600 -0.560 0.000 1.048 358 K CA 1.642 57.614 56.287 -0.526 0.000 0.928 358 K CB -0.080 31.662 32.500 -1.263 0.000 0.713 358 K HN 0.107 nan 8.250 nan 0.000 0.442 359 E N 0.699 120.638 120.200 -0.435 0.000 2.152 359 E HA -0.122 4.224 4.350 -0.006 0.000 0.192 359 E C 1.930 178.505 176.600 -0.042 0.000 0.983 359 E CA 1.194 57.443 56.400 -0.252 0.000 0.818 359 E CB -0.133 29.238 29.700 -0.549 0.000 0.758 359 E HN 0.093 nan 8.360 nan 0.000 0.467 360 S N -0.664 115.168 115.700 0.220 0.000 2.368 360 S HA -0.057 4.409 4.470 -0.006 0.000 0.225 360 S C 1.788 176.548 174.600 0.266 0.000 1.030 360 S CA 1.045 59.546 58.200 0.502 0.000 0.999 360 S CB -0.249 63.263 63.200 0.519 0.000 0.844 360 S HN 0.384 nan 8.310 nan 0.000 0.459 361 L N 0.857 122.148 121.223 0.113 0.000 2.291 361 L HA 0.062 4.398 4.340 -0.006 0.000 0.214 361 L C 2.735 179.611 176.870 0.010 0.000 1.120 361 L CA 0.787 55.602 54.840 -0.043 0.000 0.799 361 L CB -0.371 41.553 42.059 -0.226 0.000 0.925 361 L HN 0.315 nan 8.230 nan 0.000 0.446 362 R N 0.684 121.241 120.500 0.094 0.000 2.062 362 R HA -0.128 4.209 4.340 -0.006 0.000 0.231 362 R C 2.251 178.386 176.300 -0.275 0.000 1.136 362 R CA 1.391 57.493 56.100 0.004 0.000 0.948 362 R CB -0.121 30.041 30.300 -0.231 0.000 0.845 362 R HN 0.289 nan 8.270 nan 0.000 0.430 363 L N -0.702 120.291 121.223 -0.383 0.000 2.179 363 L HA -0.063 4.273 4.340 -0.006 0.000 0.208 363 L C 0.424 176.768 176.870 -0.877 0.000 1.096 363 L CA 0.880 55.279 54.840 -0.734 0.000 0.779 363 L CB 0.201 41.656 42.059 -1.007 0.000 0.922 363 L HN 0.252 nan 8.230 nan 0.000 0.443 364 Y N -0.563 119.575 120.300 -0.270 0.000 2.470 364 Y HA 0.274 4.821 4.550 -0.006 0.000 0.352 364 Y C -2.279 173.401 175.900 -0.367 0.000 0.967 364 Y CA -2.300 55.449 58.100 -0.584 0.000 1.121 364 Y CB 0.346 38.078 38.460 -1.215 0.000 1.149 364 Y HN -0.061 nan 8.280 nan 0.000 0.641 365 P HA 0.166 nan 4.420 nan 0.000 0.281 365 P C -2.501 174.858 177.300 0.099 0.000 1.286 365 P CA -1.537 61.540 63.100 -0.038 0.000 0.772 365 P CB 2.159 33.821 31.700 -0.064 0.000 0.862 366 P HA -0.086 nan 4.420 nan 0.000 0.217 366 P C 0.516 177.924 177.300 0.180 0.000 1.150 366 P CA 1.456 64.692 63.100 0.227 0.000 0.832 366 P CB 0.054 31.850 31.700 0.159 0.000 0.787 367 A N 0.517 123.344 122.820 0.011 0.000 2.506 367 A HA 0.172 4.488 4.320 -0.006 0.000 0.320 367 A C 0.636 178.168 177.584 -0.087 0.000 1.424 367 A CA -0.736 51.245 52.037 -0.093 0.000 1.044 367 A CB -0.754 18.145 19.000 -0.168 0.000 1.140 367 A HN 0.325 nan 8.150 nan 0.000 0.538 368 W N 2.362 123.628 121.300 -0.057 0.000 3.077 368 W HA 0.427 5.084 4.660 -0.006 0.000 0.266 368 W C 0.096 176.600 176.519 -0.025 0.000 1.300 368 W CA 0.322 57.646 57.345 -0.036 0.000 1.586 368 W CB -0.222 29.205 29.460 -0.056 0.000 1.103 368 W HN 0.698 nan 8.180 nan 0.000 0.652 369 G N 0.201 108.639 108.800 -0.602 0.000 2.677 369 G HA2 0.459 4.415 3.960 -0.006 0.000 0.291 369 G HA3 0.459 4.415 3.960 -0.006 0.000 0.291 369 G C -1.801 172.777 174.900 -0.537 0.000 1.435 369 G CA -0.411 44.363 45.100 -0.543 0.000 0.826 369 G HN -0.062 nan 8.290 nan 0.000 0.491 370 T N -0.807 113.519 114.554 -0.380 0.000 2.894 370 T HA 0.713 5.059 4.350 -0.006 0.000 0.309 370 T C -1.840 172.706 174.700 -0.255 0.000 1.208 370 T CA -0.459 61.514 62.100 -0.211 0.000 1.016 370 T CB 1.099 69.970 68.868 0.006 0.000 1.192 370 T HN 0.337 nan 8.240 nan 0.000 0.491 371 F N 2.484 122.504 119.950 0.117 0.000 2.546 371 F HA 0.776 5.298 4.527 -0.009 0.000 0.320 371 F C 0.603 176.523 175.800 0.200 0.000 1.076 371 F CA -1.042 57.022 58.000 0.107 0.000 0.928 371 F CB 1.713 40.682 39.000 -0.052 0.000 1.189 371 F HN 0.185 nan 8.300 nan 0.000 0.465 372 R N 1.764 122.484 120.500 0.367 0.000 2.740 372 R HA 0.494 4.831 4.340 -0.006 0.000 0.282 372 R C -1.478 174.917 176.300 0.158 0.000 0.969 372 R CA -1.267 54.980 56.100 0.245 0.000 0.918 372 R CB 2.312 32.752 30.300 0.234 0.000 1.175 372 R HN 0.591 nan 8.270 nan 0.000 0.464 373 L N 2.859 124.166 121.223 0.141 0.000 2.360 373 L HA 0.261 4.597 4.340 -0.006 0.000 0.276 373 L C -0.685 176.244 176.870 0.099 0.000 1.121 373 L CA -0.308 54.588 54.840 0.093 0.000 0.845 373 L CB 0.410 42.525 42.059 0.093 0.000 1.143 373 L HN 0.447 nan 8.230 nan 0.000 0.452 374 L N 5.305 126.542 121.223 0.023 0.000 2.268 374 L HA 0.309 4.645 4.340 -0.006 0.000 0.289 374 L C 1.039 177.954 176.870 0.074 0.000 1.064 374 L CA 0.588 55.449 54.840 0.036 0.000 0.824 374 L CB 0.550 42.562 42.059 -0.079 0.000 1.202 374 L HN 0.807 nan 8.230 nan 0.000 0.433 375 E N 2.940 123.219 120.200 0.131 0.000 2.107 375 E HA -0.087 4.259 4.350 -0.006 0.000 0.191 375 E C -0.247 176.394 176.600 0.069 0.000 0.982 375 E CA 0.869 57.322 56.400 0.089 0.000 0.809 375 E CB 0.292 30.045 29.700 0.088 0.000 0.756 375 E HN 0.777 nan 8.360 nan 0.000 0.459 376 E N 1.221 121.473 120.200 0.087 0.000 2.256 376 E HA 0.280 4.626 4.350 -0.006 0.000 0.267 376 E C -0.858 175.780 176.600 0.064 0.000 0.892 376 E CA -0.808 55.631 56.400 0.065 0.000 0.775 376 E CB 1.409 31.149 29.700 0.066 0.000 1.207 376 E HN -0.099 nan 8.360 nan 0.000 0.420 377 E N 1.619 121.844 120.200 0.042 0.000 2.568 377 E HA -0.007 4.339 4.350 -0.006 0.000 0.262 377 E C -0.971 175.660 176.600 0.052 0.000 0.961 377 E CA 0.848 57.269 56.400 0.035 0.000 0.945 377 E CB 0.469 30.182 29.700 0.022 0.000 0.924 377 E HN 0.558 nan 8.360 nan 0.000 0.467 378 T N 3.960 118.548 114.554 0.056 0.000 2.885 378 T HA 0.280 4.626 4.350 -0.006 0.000 0.322 378 T C -1.390 173.351 174.700 0.068 0.000 1.387 378 T CA -0.796 61.354 62.100 0.082 0.000 1.041 378 T CB 0.898 69.854 68.868 0.146 0.000 1.287 378 T HN 0.412 nan 8.240 nan 0.000 0.491 379 L N 2.795 124.058 121.223 0.067 0.000 2.275 379 L HA 0.692 5.029 4.340 -0.006 0.000 0.288 379 L C -1.165 175.753 176.870 0.080 0.000 1.046 379 L CA -0.306 54.566 54.840 0.054 0.000 0.805 379 L CB 0.312 42.393 42.059 0.037 0.000 1.193 379 L HN 0.589 nan 8.230 nan 0.000 0.426 380 I N 4.742 125.357 120.570 0.076 0.000 2.439 380 I HA 0.258 4.424 4.170 -0.006 0.000 0.285 380 I C -0.348 175.813 176.117 0.074 0.000 1.021 380 I CA -0.680 60.686 61.300 0.110 0.000 1.091 380 I CB 1.496 39.568 38.000 0.119 0.000 1.242 380 I HN 0.608 nan 8.210 nan 0.000 0.439 381 D N 5.507 125.949 120.400 0.070 0.000 2.733 381 D HA -0.230 4.406 4.640 -0.006 0.000 0.232 381 D C 1.149 177.474 176.300 0.042 0.000 1.161 381 D CA 1.481 55.514 54.000 0.055 0.000 0.653 381 D CB -0.595 40.246 40.800 0.069 0.000 1.052 381 D HN 1.190 nan 8.370 nan 0.000 0.424 382 G N -2.239 106.582 108.800 0.035 0.000 2.234 382 G HA2 -0.313 3.644 3.960 -0.006 0.000 0.235 382 G HA3 -0.313 3.644 3.960 -0.006 0.000 0.235 382 G C 0.361 175.274 174.900 0.022 0.000 0.997 382 G CA 0.154 45.270 45.100 0.026 0.000 0.623 382 G HN 0.508 nan 8.290 nan 0.000 0.514 383 V N 2.162 122.090 119.914 0.023 0.000 2.481 383 V HA 0.534 4.650 4.120 -0.006 0.000 0.286 383 V C 0.842 176.943 176.094 0.011 0.000 1.042 383 V CA -0.791 61.516 62.300 0.012 0.000 0.928 383 V CB 1.490 33.316 31.823 0.005 0.000 0.986 383 V HN 0.362 nan 8.190 nan 0.000 0.462 384 R N 2.997 123.499 120.500 0.004 0.000 2.298 384 R HA 0.558 4.894 4.340 -0.006 0.000 0.310 384 R C -1.095 175.201 176.300 -0.007 0.000 1.068 384 R CA -0.356 55.747 56.100 0.005 0.000 0.957 384 R CB 1.218 31.520 30.300 0.002 0.000 1.003 384 R HN 0.514 nan 8.270 nan 0.000 0.454 385 V N 5.870 125.782 119.914 -0.004 0.000 2.487 385 V HA 0.277 4.393 4.120 -0.006 0.000 0.298 385 V C -2.124 173.962 176.094 -0.013 0.000 1.028 385 V CA -2.480 59.806 62.300 -0.023 0.000 0.860 385 V CB 1.912 33.708 31.823 -0.044 0.000 0.991 385 V HN 0.622 nan 8.190 nan 0.000 0.427 386 P HA 0.147 nan 4.420 nan 0.000 0.268 386 P C 0.415 177.711 177.300 -0.007 0.000 1.208 386 P CA 0.371 63.465 63.100 -0.011 0.000 0.777 386 P CB 0.532 32.221 31.700 -0.019 0.000 0.875 387 G N 1.022 109.825 108.800 0.006 0.000 2.606 387 G HA2 0.144 4.100 3.960 -0.006 0.000 0.252 387 G HA3 0.144 4.100 3.960 -0.006 0.000 0.252 387 G C 0.168 175.071 174.900 0.005 0.000 1.206 387 G CA -0.251 44.858 45.100 0.015 0.000 0.861 387 G HN 0.697 nan 8.290 nan 0.000 0.561 388 N N -1.575 117.132 118.700 0.012 0.000 2.754 388 N HA -0.178 4.558 4.740 -0.006 0.000 0.248 388 N C -0.208 175.291 175.510 -0.019 0.000 1.093 388 N CA 1.230 54.283 53.050 0.004 0.000 0.699 388 N CB -1.073 37.417 38.487 0.004 0.000 1.016 388 N HN 0.568 nan 8.380 nan 0.000 0.552 389 T N 0.925 115.462 114.554 -0.028 0.000 2.797 389 T HA 0.495 4.841 4.350 -0.006 0.000 0.279 389 T C -2.675 171.988 174.700 -0.061 0.000 0.991 389 T CA -1.163 60.905 62.100 -0.053 0.000 0.979 389 T CB 2.032 70.861 68.868 -0.064 0.000 0.943 389 T HN -0.073 nan 8.240 nan 0.000 0.444 390 P HA 0.292 nan 4.420 nan 0.000 0.282 390 P C -0.741 176.557 177.300 -0.003 0.000 1.274 390 P CA -0.331 62.747 63.100 -0.037 0.000 0.770 390 P CB 0.395 32.002 31.700 -0.154 0.000 0.867 391 L N 4.194 125.393 121.223 -0.040 0.000 2.275 391 L HA 0.400 4.736 4.340 -0.006 0.000 0.288 391 L C 0.155 176.852 176.870 -0.288 0.000 1.046 391 L CA -0.910 53.769 54.840 -0.270 0.000 0.805 391 L CB 0.869 42.630 42.059 -0.495 0.000 1.193 391 L HN 0.232 nan 8.230 nan 0.000 0.426 392 L N 4.239 125.184 121.223 -0.463 0.000 2.282 392 L HA 0.526 4.862 4.340 -0.006 0.000 0.288 392 L C -1.063 175.372 176.870 -0.725 0.000 1.033 392 L CA 0.271 54.747 54.840 -0.606 0.000 0.807 392 L CB 0.763 42.553 42.059 -0.448 0.000 1.209 392 L HN 0.188 nan 8.230 nan 0.000 0.423 393 F N 3.344 123.186 119.950 -0.180 0.000 2.444 393 F HA 0.536 5.056 4.527 -0.011 0.000 0.342 393 F C 0.472 176.358 175.800 0.143 0.000 1.121 393 F CA -0.407 57.621 58.000 0.046 0.000 0.997 393 F CB 2.003 41.034 39.000 0.052 0.000 1.130 393 F HN 0.476 nan 8.300 nan 0.000 0.454 394 S N 1.895 117.803 115.700 0.347 0.000 2.733 394 S HA 0.166 4.633 4.470 -0.006 0.000 0.307 394 S C 0.730 175.352 174.600 0.037 0.000 1.127 394 S CA -0.406 57.932 58.200 0.230 0.000 1.097 394 S CB 1.212 64.603 63.200 0.318 0.000 1.003 394 S HN 0.801 nan 8.310 nan 0.000 0.477 395 T N 3.740 118.066 114.554 -0.380 0.000 2.915 395 T HA -0.110 4.236 4.350 -0.006 0.000 0.269 395 T C 1.347 175.930 174.700 -0.195 0.000 1.071 395 T CA 1.578 63.239 62.100 -0.731 0.000 1.132 395 T CB -0.443 67.785 68.868 -1.066 0.000 0.878 395 T HN 0.768 nan 8.240 nan 0.000 0.479 396 Y N 1.185 121.428 120.300 -0.095 0.000 2.097 396 Y HA -0.141 4.405 4.550 -0.007 0.000 0.282 396 Y C 2.291 178.200 175.900 0.014 0.000 1.152 396 Y CA 1.660 59.746 58.100 -0.023 0.000 1.136 396 Y CB -0.609 37.896 38.460 0.076 0.000 0.975 396 Y HN 0.026 nan 8.280 nan 0.000 0.498 397 V N 0.806 120.886 119.914 0.276 0.000 2.255 397 V HA -0.414 3.702 4.120 -0.006 0.000 0.247 397 V C 2.379 178.561 176.094 0.146 0.000 1.051 397 V CA 2.586 65.016 62.300 0.216 0.000 1.018 397 V CB -0.681 31.327 31.823 0.308 0.000 0.641 397 V HN 0.518 nan 8.190 nan 0.000 0.445 398 M N 0.124 119.844 119.600 0.200 0.000 2.229 398 M HA -0.060 4.416 4.480 -0.006 0.000 0.264 398 M C 2.154 178.697 176.300 0.406 0.000 1.063 398 M CA 1.824 57.341 55.300 0.361 0.000 1.114 398 M CB -0.751 32.038 32.600 0.314 0.000 1.387 398 M HN 0.485 nan 8.290 nan 0.000 0.420 399 G N 0.088 108.971 108.800 0.139 0.000 2.534 399 G HA2 -0.137 3.820 3.960 -0.006 0.000 0.217 399 G HA3 -0.137 3.820 3.960 -0.006 0.000 0.217 399 G C 1.543 176.368 174.900 -0.126 0.000 1.128 399 G CA 0.299 45.366 45.100 -0.054 0.000 0.784 399 G HN 0.409 nan 8.290 nan 0.000 0.542 400 R N -0.761 119.674 120.500 -0.109 0.000 2.393 400 R HA 0.348 4.684 4.340 -0.006 0.000 0.244 400 R C 0.256 176.556 176.300 -0.000 0.000 0.920 400 R CA -0.271 55.751 56.100 -0.131 0.000 1.076 400 R CB 0.309 30.444 30.300 -0.276 0.000 1.119 400 R HN 0.291 nan 8.270 nan 0.000 0.524 401 M N 1.917 121.585 119.600 0.113 0.000 2.120 401 M HA 0.028 4.504 4.480 -0.006 0.000 0.354 401 M C 0.463 176.762 176.300 -0.000 0.000 1.287 401 M CA -0.294 55.019 55.300 0.023 0.000 1.103 401 M CB 1.264 33.828 32.600 -0.060 0.000 1.623 401 M HN 0.038 nan 8.290 nan 0.000 0.471 402 D N 0.156 120.525 120.400 -0.051 0.000 2.351 402 D HA -0.152 4.484 4.640 -0.006 0.000 0.216 402 D C 1.585 177.806 176.300 -0.132 0.000 0.968 402 D CA 1.178 55.148 54.000 -0.050 0.000 0.899 402 D CB -0.462 40.310 40.800 -0.046 0.000 0.907 402 D HN 0.599 nan 8.370 nan 0.000 0.514 403 T N -1.766 112.618 114.554 -0.284 0.000 2.995 403 T HA -0.126 4.220 4.350 -0.006 0.000 0.269 403 T C 0.710 175.174 174.700 -0.394 0.000 1.091 403 T CA 0.880 62.735 62.100 -0.408 0.000 1.128 403 T CB -0.213 68.313 68.868 -0.570 0.000 0.891 403 T HN 0.186 nan 8.240 nan 0.000 0.492 404 Y N -1.002 119.224 120.300 -0.123 0.000 2.535 404 Y HA 0.481 5.027 4.550 -0.006 0.000 0.264 404 Y C -0.002 175.450 175.900 -0.747 0.000 1.087 404 Y CA -1.287 56.580 58.100 -0.387 0.000 1.285 404 Y CB 0.474 38.728 38.460 -0.344 0.000 1.200 404 Y HN 0.137 nan 8.280 nan 0.000 0.514 405 F N 0.792 120.770 119.950 0.047 0.000 2.562 405 F HA 0.305 4.828 4.527 -0.006 0.000 0.319 405 F C 0.072 175.835 175.800 -0.063 0.000 1.154 405 F CA -1.613 56.367 58.000 -0.033 0.000 0.931 405 F CB 1.380 40.346 39.000 -0.057 0.000 1.198 405 F HN -0.243 nan 8.300 nan 0.000 0.444 406 E N 2.407 122.653 120.200 0.076 0.000 2.415 406 E HA -0.014 4.332 4.350 -0.006 0.000 0.263 406 E C -0.166 176.450 176.600 0.027 0.000 0.995 406 E CA 0.189 56.604 56.400 0.024 0.000 0.915 406 E CB 0.409 30.106 29.700 -0.006 0.000 0.951 406 E HN 0.679 nan 8.360 nan 0.000 0.449 407 D N 4.235 124.638 120.400 0.005 0.000 2.737 407 D HA -0.145 4.492 4.640 -0.006 0.000 0.238 407 D C -1.607 174.686 176.300 -0.012 0.000 1.157 407 D CA 0.674 54.669 54.000 -0.008 0.000 0.694 407 D CB -0.010 40.783 40.800 -0.011 0.000 1.021 407 D HN 0.440 nan 8.370 nan 0.000 0.420 408 P HA -0.197 nan 4.420 nan 0.000 0.217 408 P C 1.770 179.011 177.300 -0.099 0.000 1.148 408 P CA 0.984 64.066 63.100 -0.030 0.000 0.828 408 P CB 0.019 31.725 31.700 0.010 0.000 0.783 409 L N -1.017 120.160 121.223 -0.077 0.000 2.599 409 L HA 0.074 4.410 4.340 -0.006 0.000 0.230 409 L C 0.881 177.725 176.870 -0.043 0.000 1.141 409 L CA 0.357 55.147 54.840 -0.082 0.000 0.877 409 L CB -1.000 41.021 42.059 -0.063 0.000 1.009 409 L HN -0.114 nan 8.230 nan 0.000 0.447 410 T N 0.535 115.072 114.554 -0.029 0.000 2.780 410 T HA 0.141 4.487 4.350 -0.006 0.000 0.294 410 T C -0.438 174.283 174.700 0.034 0.000 0.949 410 T CA -0.210 61.897 62.100 0.013 0.000 1.074 410 T CB 0.618 69.486 68.868 0.001 0.000 0.910 410 T HN -0.060 nan 8.240 nan 0.000 0.501 411 F N 5.083 125.002 119.950 -0.053 0.000 2.434 411 F HA 0.391 4.915 4.527 -0.006 0.000 0.358 411 F C 0.322 176.119 175.800 -0.006 0.000 1.136 411 F CA -0.894 57.085 58.000 -0.035 0.000 1.157 411 F CB 0.080 39.085 39.000 0.008 0.000 1.167 411 F HN 0.405 nan 8.300 nan 0.000 0.539 412 N N 7.961 126.463 118.700 -0.329 0.000 2.617 412 N HA 0.394 5.130 4.740 -0.006 0.000 0.263 412 N C -2.439 172.908 175.510 -0.271 0.000 1.074 412 N CA -2.331 50.592 53.050 -0.212 0.000 0.841 412 N CB 1.719 40.152 38.487 -0.091 0.000 1.221 412 N HN 0.150 nan 8.380 nan 0.000 0.529 413 P HA -0.033 nan 4.420 nan 0.000 0.222 413 P C 0.137 177.439 177.300 0.004 0.000 1.147 413 P CA 0.903 63.891 63.100 -0.187 0.000 0.790 413 P CB 0.362 31.914 31.700 -0.246 0.000 0.780 414 D N -1.102 119.315 120.400 0.029 0.000 2.348 414 D HA -0.056 4.580 4.640 -0.006 0.000 0.216 414 D C 1.777 178.058 176.300 -0.032 0.000 0.970 414 D CA 0.534 54.565 54.000 0.052 0.000 0.889 414 D CB -0.343 40.485 40.800 0.047 0.000 0.912 414 D HN 0.245 nan 8.370 nan 0.000 0.524 415 R N -0.215 120.212 120.500 -0.121 0.000 2.159 415 R HA -0.080 4.257 4.340 -0.006 0.000 0.237 415 R C 0.998 177.036 176.300 -0.438 0.000 1.131 415 R CA 0.796 56.714 56.100 -0.303 0.000 0.982 415 R CB -0.194 29.808 30.300 -0.496 0.000 0.868 415 R HN 0.211 nan 8.270 nan 0.000 0.453 416 F N 0.090 119.977 119.950 -0.105 0.000 2.647 416 F HA 0.279 4.802 4.527 -0.007 0.000 0.300 416 F C 1.401 177.179 175.800 -0.036 0.000 1.106 416 F CA -0.587 57.359 58.000 -0.089 0.000 1.313 416 F CB 0.315 39.237 39.000 -0.130 0.000 1.007 416 F HN -0.060 nan 8.300 nan 0.000 0.536 417 G N 1.894 110.749 108.800 0.091 0.000 2.594 417 G HA2 0.262 4.218 3.960 -0.006 0.000 0.243 417 G HA3 0.262 4.218 3.960 -0.006 0.000 0.243 417 G C -2.262 172.679 174.900 0.068 0.000 1.229 417 G CA -0.901 44.255 45.100 0.093 0.000 0.843 417 G HN -0.053 nan 8.290 nan 0.000 0.578 418 P HA 0.192 nan 4.420 nan 0.000 0.272 418 P C 0.910 178.227 177.300 0.028 0.000 1.223 418 P CA 1.025 64.154 63.100 0.049 0.000 0.784 418 P CB 1.215 32.943 31.700 0.047 0.000 0.923 419 G N 1.027 109.839 108.800 0.020 0.000 2.284 419 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.247 419 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.247 419 G C 0.415 175.311 174.900 -0.005 0.000 1.012 419 G CA 0.197 45.302 45.100 0.008 0.000 0.618 419 G HN 0.905 nan 8.290 nan 0.000 0.521 420 A N 1.201 124.014 122.820 -0.012 0.000 2.440 420 A HA 0.654 4.970 4.320 -0.006 0.000 0.251 420 A C -1.343 176.214 177.584 -0.045 0.000 1.089 420 A CA -0.504 51.508 52.037 -0.042 0.000 0.779 420 A CB 0.068 19.024 19.000 -0.073 0.000 1.022 420 A HN 0.232 nan 8.150 nan 0.000 0.492 421 P HA 0.148 nan 4.420 nan 0.000 0.268 421 P C -0.401 176.858 177.300 -0.068 0.000 1.205 421 P CA 0.042 63.111 63.100 -0.050 0.000 0.771 421 P CB 0.479 32.145 31.700 -0.057 0.000 0.858 422 K N 3.854 124.232 120.400 -0.036 0.000 2.326 422 K HA 0.187 4.503 4.320 -0.006 0.000 0.275 422 K C -1.787 174.786 176.600 -0.044 0.000 1.018 422 K CA -1.251 55.026 56.287 -0.016 0.000 0.962 422 K CB -0.332 32.180 32.500 0.021 0.000 0.953 422 K HN 0.458 nan 8.250 nan 0.000 0.475 423 P HA 0.006 nan 4.420 nan 0.000 0.268 423 P C -0.983 176.296 177.300 -0.035 0.000 1.205 423 P CA 0.012 63.101 63.100 -0.018 0.000 0.771 423 P CB 0.612 32.410 31.700 0.163 0.000 0.858 424 R N 3.118 123.572 120.500 -0.076 0.000 2.332 424 R HA 0.284 4.621 4.340 -0.006 0.000 0.306 424 R C -0.213 176.091 176.300 0.007 0.000 1.117 424 R CA -0.557 55.473 56.100 -0.117 0.000 1.108 424 R CB -0.831 29.466 30.300 -0.005 0.000 1.126 424 R HN 0.389 nan 8.270 nan 0.000 0.548 425 F N 0.736 120.722 119.950 0.060 0.000 3.084 425 F HA -0.312 4.215 4.527 0.001 0.000 0.286 425 F C 1.141 177.017 175.800 0.126 0.000 0.855 425 F CA 1.362 59.393 58.000 0.051 0.000 1.091 425 F CB -1.734 37.232 39.000 -0.057 0.000 1.177 425 F HN 0.568 nan 8.300 nan 0.000 0.542 426 T N -4.138 110.568 114.554 0.254 0.000 3.084 426 T HA 0.300 4.646 4.350 -0.006 0.000 0.270 426 T C -0.414 174.572 174.700 0.477 0.000 1.008 426 T CA -0.014 62.214 62.100 0.214 0.000 0.900 426 T CB 0.320 69.113 68.868 -0.125 0.000 1.084 426 T HN 0.337 nan 8.240 nan 0.000 0.538 427 Y N 1.948 122.474 120.300 0.378 0.000 2.298 427 Y HA 0.506 5.052 4.550 -0.007 0.000 0.322 427 Y C -2.146 173.931 175.900 0.295 0.000 1.138 427 Y CA -2.829 55.407 58.100 0.227 0.000 1.127 427 Y CB 0.935 39.597 38.460 0.338 0.000 1.178 427 Y HN 0.256 nan 8.280 nan 0.000 0.428 428 F N 6.674 126.427 119.950 -0.329 0.000 2.824 428 F HA 0.476 5.001 4.527 -0.003 0.000 0.368 428 F C -2.673 172.913 175.800 -0.357 0.000 1.398 428 F CA -1.979 55.837 58.000 -0.307 0.000 1.142 428 F CB 0.528 39.471 39.000 -0.093 0.000 1.997 428 F HN 0.125 nan 8.300 nan 0.000 0.598 429 P HA -0.022 nan 4.420 nan 0.000 0.233 429 P C 0.451 177.351 177.300 -0.667 0.000 1.167 429 P CA 1.026 63.745 63.100 -0.635 0.000 0.770 429 P CB 0.011 31.234 31.700 -0.795 0.000 0.837 430 F N -0.703 119.154 119.950 -0.154 0.000 2.654 430 F HA 0.315 4.837 4.527 -0.007 0.000 0.303 430 F C 1.344 177.118 175.800 -0.044 0.000 1.099 430 F CA -0.083 57.863 58.000 -0.091 0.000 1.270 430 F CB -0.164 38.788 39.000 -0.081 0.000 1.024 430 F HN -0.120 nan 8.300 nan 0.000 0.548 431 S N 0.256 116.040 115.700 0.140 0.000 3.633 431 S HA -0.157 4.309 4.470 -0.006 0.000 0.637 431 S C -0.835 173.813 174.600 0.079 0.000 2.289 431 S CA 0.135 58.423 58.200 0.147 0.000 2.476 431 S CB -0.755 62.462 63.200 0.028 0.000 0.330 431 S HN 0.232 nan 8.310 nan 0.000 1.787 432 L N 0.677 121.871 121.223 -0.048 0.000 2.469 432 L HA 0.696 5.032 4.340 -0.006 0.000 0.256 432 L C 0.828 177.658 176.870 -0.067 0.000 1.006 432 L CA -0.142 54.670 54.840 -0.048 0.000 0.832 432 L CB 1.615 43.614 42.059 -0.100 0.000 1.421 432 L HN 1.730 nan 8.230 nan 0.000 0.410 433 G N 0.528 109.329 108.800 0.003 0.000 2.593 433 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.237 433 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.237 433 G C 0.558 175.493 174.900 0.058 0.000 1.312 433 G CA 0.425 45.553 45.100 0.046 0.000 0.896 433 G HN 1.070 nan 8.290 nan 0.000 0.574 434 H N 0.620 119.674 119.070 -0.027 0.000 2.462 434 H HA 0.088 4.640 4.556 -0.006 0.000 0.292 434 H C 1.897 177.159 175.328 -0.110 0.000 1.049 434 H CA 1.474 57.535 56.048 0.023 0.000 1.334 434 H CB -0.061 29.745 29.762 0.074 0.000 1.404 434 H HN 0.369 nan 8.280 nan 0.000 0.544 435 R N 2.277 122.340 120.500 -0.729 0.000 2.480 435 R HA 0.136 4.472 4.340 -0.006 0.000 0.277 435 R C 0.480 176.622 176.300 -0.264 0.000 1.008 435 R CA 0.216 55.940 56.100 -0.626 0.000 1.090 435 R CB -0.331 29.475 30.300 -0.823 0.000 1.234 435 R HN 0.475 nan 8.270 nan 0.000 0.549 436 S N -0.698 114.929 115.700 -0.121 0.000 2.608 436 S HA 0.045 4.511 4.470 -0.006 0.000 0.261 436 S C 0.691 175.288 174.600 -0.004 0.000 1.314 436 S CA -0.778 57.402 58.200 -0.033 0.000 0.992 436 S CB 1.215 64.424 63.200 0.014 0.000 0.935 436 S HN 0.348 nan 8.310 nan 0.000 0.564 437 C N 2.524 121.846 119.300 0.037 0.000 2.638 437 C HA 0.198 4.654 4.460 -0.006 0.000 0.410 437 C C 1.782 176.730 174.990 -0.070 0.000 1.404 437 C CA -0.489 58.542 59.018 0.022 0.000 1.651 437 C CB -2.061 25.792 27.740 0.189 0.000 2.495 437 C HN 0.943 nan 8.230 nan 0.000 0.606 438 I N 4.599 125.080 120.570 -0.149 0.000 2.676 438 I HA 0.072 4.238 4.170 -0.006 0.000 0.259 438 I C 1.917 177.684 176.117 -0.583 0.000 1.194 438 I CA 1.633 62.729 61.300 -0.340 0.000 1.473 438 I CB -0.069 37.704 38.000 -0.378 0.000 1.096 438 I HN 0.908 nan 8.210 nan 0.000 0.443 439 G N 0.061 108.653 108.800 -0.347 0.000 3.314 439 G HA2 -0.064 3.892 3.960 -0.006 0.000 0.238 439 G HA3 -0.064 3.892 3.960 -0.006 0.000 0.238 439 G C 1.200 176.114 174.900 0.025 0.000 1.184 439 G CA -0.149 44.860 45.100 -0.151 0.000 0.806 439 G HN 0.448 nan 8.290 nan 0.000 0.536 440 Q N -0.128 119.591 119.800 -0.135 0.000 2.050 440 Q HA -0.210 4.126 4.340 -0.006 0.000 0.202 440 Q C 2.336 178.186 176.000 -0.249 0.000 0.980 440 Q CA 1.679 57.212 55.803 -0.449 0.000 0.840 440 Q CB 0.060 28.315 28.738 -0.804 0.000 0.898 440 Q HN 0.409 nan 8.270 nan 0.000 0.424 441 Q N -0.052 119.724 119.800 -0.039 0.000 2.079 441 Q HA -0.108 4.228 4.340 -0.006 0.000 0.200 441 Q C 1.676 177.829 176.000 0.255 0.000 0.974 441 Q CA 1.648 57.506 55.803 0.091 0.000 0.840 441 Q CB -0.582 28.244 28.738 0.147 0.000 0.898 441 Q HN 0.482 nan 8.270 nan 0.000 0.430 442 F N 0.705 120.789 119.950 0.222 0.000 2.087 442 F HA -0.341 4.182 4.527 -0.006 0.000 0.299 442 F C 1.958 177.846 175.800 0.146 0.000 1.100 442 F CA 1.551 59.739 58.000 0.312 0.000 1.226 442 F CB -0.136 39.137 39.000 0.455 0.000 0.983 442 F HN 0.122 nan 8.300 nan 0.000 0.479 443 A N -0.298 122.834 122.820 0.520 0.000 1.929 443 A HA -0.175 4.141 4.320 -0.006 0.000 0.216 443 A C 2.043 179.742 177.584 0.192 0.000 1.176 443 A CA 1.504 53.761 52.037 0.366 0.000 0.628 443 A CB -0.744 18.482 19.000 0.377 0.000 0.816 443 A HN 0.612 nan 8.150 nan 0.000 0.444 444 Q N -0.876 119.003 119.800 0.131 0.000 2.167 444 Q HA -0.092 4.244 4.340 -0.006 0.000 0.202 444 Q C 2.128 178.149 176.000 0.036 0.000 0.970 444 Q CA 1.504 57.364 55.803 0.095 0.000 0.855 444 Q CB -0.288 28.465 28.738 0.025 0.000 0.911 444 Q HN 0.711 nan 8.270 nan 0.000 0.438 445 M N 0.406 120.023 119.600 0.029 0.000 2.059 445 M HA -0.223 4.253 4.480 -0.006 0.000 0.259 445 M C 2.263 178.414 176.300 -0.249 0.000 1.072 445 M CA 1.666 56.959 55.300 -0.011 0.000 1.117 445 M CB -0.368 32.342 32.600 0.183 0.000 1.320 445 M HN 0.207 nan 8.290 nan 0.000 0.408 446 E N 0.619 120.443 120.200 -0.627 0.000 2.049 446 E HA -0.228 4.118 4.350 -0.006 0.000 0.198 446 E C 1.819 178.194 176.600 -0.375 0.000 1.007 446 E CA 2.343 58.151 56.400 -0.987 0.000 0.809 446 E CB -0.122 29.109 29.700 -0.782 0.000 0.749 446 E HN 0.456 nan 8.360 nan 0.000 0.450 447 V N -1.117 118.704 119.914 -0.154 0.000 2.548 447 V HA -0.123 3.993 4.120 -0.006 0.000 0.249 447 V C 2.032 178.085 176.094 -0.069 0.000 1.055 447 V CA 1.752 64.005 62.300 -0.078 0.000 1.065 447 V CB -0.493 31.329 31.823 -0.001 0.000 0.681 447 V HN 0.131 nan 8.190 nan 0.000 0.462 448 K N 0.487 120.857 120.400 -0.050 0.000 2.097 448 K HA -0.025 4.291 4.320 -0.006 0.000 0.205 448 K C 2.199 178.782 176.600 -0.030 0.000 1.050 448 K CA 1.526 57.796 56.287 -0.029 0.000 0.938 448 K CB -0.436 32.052 32.500 -0.020 0.000 0.718 448 K HN 0.479 nan 8.250 nan 0.000 0.442 449 V N 1.145 121.028 119.914 -0.053 0.000 2.295 449 V HA -0.239 3.877 4.120 -0.006 0.000 0.246 449 V C 2.303 178.393 176.094 -0.007 0.000 1.049 449 V CA 1.570 63.860 62.300 -0.017 0.000 1.024 449 V CB -0.365 31.460 31.823 0.003 0.000 0.648 449 V HN 0.077 nan 8.190 nan 0.000 0.447 450 V N -0.610 119.282 119.914 -0.036 0.000 2.295 450 V HA -0.291 3.825 4.120 -0.006 0.000 0.246 450 V C 2.510 178.605 176.094 0.002 0.000 1.049 450 V CA 2.003 64.296 62.300 -0.012 0.000 1.024 450 V CB -0.600 31.201 31.823 -0.036 0.000 0.648 450 V HN 0.405 nan 8.190 nan 0.000 0.447 451 M N -0.137 119.450 119.600 -0.021 0.000 2.117 451 M HA -0.103 4.373 4.480 -0.006 0.000 0.262 451 M C 2.412 178.732 176.300 0.033 0.000 1.065 451 M CA 2.178 57.473 55.300 -0.008 0.000 1.114 451 M CB -1.524 31.058 32.600 -0.031 0.000 1.361 451 M HN 0.411 nan 8.290 nan 0.000 0.408 452 A N 0.383 123.223 122.820 0.033 0.000 1.933 452 A HA -0.165 4.151 4.320 -0.006 0.000 0.218 452 A C 2.287 179.913 177.584 0.071 0.000 1.175 452 A CA 1.509 53.578 52.037 0.053 0.000 0.628 452 A CB -0.491 18.537 19.000 0.046 0.000 0.814 452 A HN 0.472 nan 8.150 nan 0.000 0.444 453 K N -0.398 120.045 120.400 0.072 0.000 2.057 453 K HA -0.021 4.296 4.320 -0.006 0.000 0.206 453 K C 1.864 178.525 176.600 0.103 0.000 1.050 453 K CA 1.263 57.604 56.287 0.090 0.000 0.935 453 K CB -0.384 32.173 32.500 0.095 0.000 0.715 453 K HN 0.471 nan 8.250 nan 0.000 0.439 454 L N 0.899 122.191 121.223 0.116 0.000 2.056 454 L HA -0.162 4.174 4.340 -0.006 0.000 0.207 454 L C 2.319 179.299 176.870 0.183 0.000 1.078 454 L CA 0.967 55.916 54.840 0.180 0.000 0.749 454 L CB -0.372 41.816 42.059 0.215 0.000 0.901 454 L HN 0.154 nan 8.230 nan 0.000 0.433 455 L N -0.663 120.645 121.223 0.142 0.000 2.201 455 L HA -0.203 4.133 4.340 -0.006 0.000 0.212 455 L C 2.598 179.531 176.870 0.105 0.000 1.105 455 L CA 0.939 55.858 54.840 0.132 0.000 0.775 455 L CB -0.335 41.789 42.059 0.110 0.000 0.913 455 L HN 0.381 nan 8.230 nan 0.000 0.440 456 Q N -0.202 119.653 119.800 0.092 0.000 2.187 456 Q HA -0.087 4.250 4.340 -0.006 0.000 0.199 456 Q C 1.891 177.930 176.000 0.064 0.000 0.957 456 Q CA 0.951 56.800 55.803 0.075 0.000 0.857 456 Q CB 0.387 29.170 28.738 0.075 0.000 0.929 456 Q HN 0.377 nan 8.270 nan 0.000 0.453 457 R N -1.309 119.229 120.500 0.063 0.000 2.453 457 R HA 0.338 4.675 4.340 -0.006 0.000 0.233 457 R C -0.098 176.200 176.300 -0.004 0.000 0.895 457 R CA 0.129 56.251 56.100 0.036 0.000 1.028 457 R CB 1.118 31.442 30.300 0.041 0.000 1.255 457 R HN 0.129 nan 8.270 nan 0.000 0.571 458 L N 0.884 122.099 121.223 -0.013 0.000 2.393 458 L HA 0.447 4.783 4.340 -0.006 0.000 0.260 458 L C -0.764 175.986 176.870 -0.199 0.000 1.002 458 L CA -0.794 53.945 54.840 -0.169 0.000 0.818 458 L CB 2.908 44.780 42.059 -0.312 0.000 1.369 458 L HN -0.147 nan 8.230 nan 0.000 0.412 459 E N 1.138 121.141 120.200 -0.330 0.000 2.212 459 E HA 0.602 4.949 4.350 -0.006 0.000 0.268 459 E C -1.705 174.627 176.600 -0.447 0.000 0.902 459 E CA -0.606 55.659 56.400 -0.225 0.000 0.779 459 E CB 2.548 32.212 29.700 -0.060 0.000 1.172 459 E HN 0.191 nan 8.360 nan 0.000 0.409 460 F N 0.925 120.872 119.950 -0.005 0.000 2.508 460 F HA 0.514 5.037 4.527 -0.006 0.000 0.325 460 F C 0.214 176.005 175.800 -0.015 0.000 1.090 460 F CA -0.869 57.121 58.000 -0.017 0.000 0.945 460 F CB 1.600 40.587 39.000 -0.023 0.000 1.156 460 F HN 0.094 nan 8.300 nan 0.000 0.463 461 R N 2.243 122.826 120.500 0.139 0.000 2.513 461 R HA 0.508 4.845 4.340 -0.006 0.000 0.301 461 R C -1.383 174.955 176.300 0.063 0.000 0.968 461 R CA -1.133 55.016 56.100 0.082 0.000 0.872 461 R CB 2.262 32.580 30.300 0.030 0.000 1.177 461 R HN 0.512 nan 8.270 nan 0.000 0.444 462 L N 3.162 124.411 121.223 0.043 0.000 2.426 462 L HA 0.151 4.487 4.340 -0.006 0.000 0.271 462 L C -0.285 176.574 176.870 -0.018 0.000 1.169 462 L CA 0.087 54.916 54.840 -0.019 0.000 0.836 462 L CB 1.115 43.126 42.059 -0.080 0.000 1.112 462 L HN 0.320 nan 8.230 nan 0.000 0.465 463 V N 6.676 126.567 119.914 -0.038 0.000 2.715 463 V HA 0.167 4.284 4.120 -0.006 0.000 0.299 463 V C -1.828 174.249 176.094 -0.029 0.000 1.054 463 V CA -1.072 61.210 62.300 -0.029 0.000 1.077 463 V CB 0.462 32.265 31.823 -0.034 0.000 0.972 463 V HN 0.807 nan 8.190 nan 0.000 0.484 464 P HA 0.246 nan 4.420 nan 0.000 0.267 464 P C 0.918 178.210 177.300 -0.014 0.000 1.200 464 P CA 1.421 64.520 63.100 -0.002 0.000 0.772 464 P CB 0.596 32.298 31.700 0.003 0.000 0.855 465 G N 0.604 109.399 108.800 -0.007 0.000 2.241 465 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.244 465 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.244 465 G C 0.108 174.981 174.900 -0.045 0.000 0.998 465 G CA -0.439 44.651 45.100 -0.016 0.000 0.621 465 G HN 0.530 nan 8.290 nan 0.000 0.519 466 Q N 1.331 121.080 119.800 -0.085 0.000 2.300 466 Q HA 0.373 4.710 4.340 -0.006 0.000 0.280 466 Q C 0.892 176.768 176.000 -0.206 0.000 1.033 466 Q CA 0.498 56.204 55.803 -0.161 0.000 0.903 466 Q CB 0.611 29.212 28.738 -0.227 0.000 1.195 466 Q HN 0.627 nan 8.270 nan 0.000 0.386 467 R N 1.182 121.576 120.500 -0.176 0.000 2.549 467 R HA 0.304 4.641 4.340 -0.006 0.000 0.267 467 R C 0.394 176.554 176.300 -0.234 0.000 1.045 467 R CA -0.358 55.680 56.100 -0.103 0.000 1.115 467 R CB 0.557 30.852 30.300 -0.008 0.000 1.121 467 R HN 0.497 nan 8.270 nan 0.000 0.543 468 F N -0.147 119.796 119.950 -0.012 0.000 2.693 468 F HA 0.226 4.749 4.527 -0.007 0.000 0.303 468 F C 1.481 177.302 175.800 0.035 0.000 1.097 468 F CA -0.295 57.701 58.000 -0.007 0.000 1.330 468 F CB 0.389 39.394 39.000 0.008 0.000 1.067 468 F HN 0.630 nan 8.300 nan 0.000 0.565 469 G N 0.283 109.172 108.800 0.149 0.000 2.621 469 G HA2 0.465 4.421 3.960 -0.006 0.000 0.271 469 G HA3 0.465 4.421 3.960 -0.006 0.000 0.271 469 G C -0.768 174.214 174.900 0.138 0.000 1.236 469 G CA -0.262 44.921 45.100 0.138 0.000 0.958 469 G HN -0.074 nan 8.290 nan 0.000 0.512 470 L N -0.881 120.427 121.223 0.141 0.000 2.286 470 L HA 0.593 4.930 4.340 -0.006 0.000 0.265 470 L C 0.252 177.145 176.870 0.037 0.000 1.012 470 L CA -0.730 54.212 54.840 0.169 0.000 0.818 470 L CB 1.984 44.180 42.059 0.229 0.000 1.337 470 L HN 0.816 nan 8.230 nan 0.000 0.438 471 Q N -0.720 119.089 119.800 0.014 0.000 2.416 471 Q HA 0.556 4.892 4.340 -0.006 0.000 0.281 471 Q C -1.286 174.672 176.000 -0.071 0.000 1.067 471 Q CA -0.840 54.930 55.803 -0.055 0.000 0.809 471 Q CB 2.429 31.136 28.738 -0.051 0.000 1.418 471 Q HN 0.527 nan 8.270 nan 0.000 0.411 472 E N 1.638 121.762 120.200 -0.127 0.000 2.109 472 E HA 0.135 4.481 4.350 -0.006 0.000 0.278 472 E C -1.017 175.567 176.600 -0.026 0.000 0.954 472 E CA -0.442 55.885 56.400 -0.122 0.000 0.779 472 E CB 0.822 30.362 29.700 -0.267 0.000 1.093 472 E HN 0.448 nan 8.360 nan 0.000 0.401 473 Q N 3.574 123.392 119.800 0.030 0.000 2.771 473 Q HA 0.299 4.635 4.340 -0.006 0.000 0.247 473 Q C 0.338 176.394 176.000 0.093 0.000 0.986 473 Q CA 0.201 56.034 55.803 0.050 0.000 0.713 473 Q CB 1.266 30.023 28.738 0.032 0.000 1.241 473 Q HN 0.728 nan 8.270 nan 0.000 0.488 474 A N 1.878 124.779 122.820 0.135 0.000 1.346 474 A HA -0.313 4.003 4.320 -0.006 0.000 0.342 474 A C 0.938 178.709 177.584 0.313 0.000 1.689 474 A CA 2.290 54.436 52.037 0.182 0.000 1.090 474 A CB -2.299 16.761 19.000 0.101 0.000 1.472 474 A HN 0.719 nan 8.150 nan 0.000 0.721 475 T N -0.398 114.282 114.554 0.209 0.000 2.816 475 T HA 0.647 4.993 4.350 -0.006 0.000 0.282 475 T C 0.319 175.167 174.700 0.246 0.000 0.993 475 T CA -0.221 62.036 62.100 0.261 0.000 0.994 475 T CB 0.876 69.824 68.868 0.134 0.000 1.025 475 T HN 0.892 nan 8.240 nan 0.000 0.529 476 L N 1.742 123.142 121.223 0.296 0.000 2.375 476 L HA 0.597 4.933 4.340 -0.006 0.000 0.271 476 L C 0.534 177.591 176.870 0.312 0.000 1.107 476 L CA -0.672 54.305 54.840 0.230 0.000 0.806 476 L CB 0.793 42.998 42.059 0.243 0.000 1.146 476 L HN 0.876 nan 8.230 nan 0.000 0.447 477 K N 1.731 122.229 120.400 0.164 0.000 2.578 477 K HA 0.555 4.871 4.320 -0.006 0.000 0.287 477 K C -3.101 173.257 176.600 -0.404 0.000 1.010 477 K CA -2.013 54.064 56.287 -0.350 0.000 0.889 477 K CB 1.468 33.820 32.500 -0.247 0.000 1.514 477 K HN 0.057 nan 8.250 nan 0.000 0.424 478 P HA -0.041 nan 4.420 nan 0.000 0.265 478 P C 0.592 177.772 177.300 -0.199 0.000 1.193 478 P CA -0.355 62.509 63.100 -0.392 0.000 0.765 478 P CB 0.440 31.851 31.700 -0.481 0.000 0.823 479 L N 3.481 124.646 121.223 -0.097 0.000 2.017 479 L HA -0.071 4.266 4.340 -0.006 0.000 0.208 479 L C 0.484 177.292 176.870 -0.102 0.000 1.073 479 L CA 2.075 56.869 54.840 -0.077 0.000 0.745 479 L CB -0.588 41.446 42.059 -0.041 0.000 0.894 479 L HN 0.278 nan 8.230 nan 0.000 0.432 480 D N -0.182 120.140 120.400 -0.130 0.000 2.294 480 D HA 0.254 4.891 4.640 -0.006 0.000 0.250 480 D C -1.807 174.392 176.300 -0.168 0.000 1.058 480 D CA -1.744 52.173 54.000 -0.138 0.000 0.950 480 D CB 0.711 41.421 40.800 -0.150 0.000 1.158 480 D HN 0.126 nan 8.370 nan 0.000 0.453 481 P HA -0.021 nan 4.420 nan 0.000 0.252 481 P C -0.035 177.162 177.300 -0.172 0.000 1.265 481 P CA 0.157 63.167 63.100 -0.150 0.000 0.775 481 P CB 0.269 31.904 31.700 -0.108 0.000 1.128 482 V N -1.657 118.136 119.914 -0.202 0.000 5.767 482 V HA -0.239 3.878 4.120 -0.006 0.000 0.311 482 V C 0.753 176.756 176.094 -0.152 0.000 0.532 482 V CA 0.391 62.558 62.300 -0.222 0.000 0.659 482 V CB -2.661 29.011 31.823 -0.253 0.000 0.353 482 V HN 0.272 nan 8.190 nan 0.000 1.082 483 L N 0.687 121.836 121.223 -0.123 0.000 2.534 483 L HA 0.189 4.525 4.340 -0.006 0.000 0.271 483 L C 0.470 177.312 176.870 -0.047 0.000 1.178 483 L CA 0.525 55.322 54.840 -0.071 0.000 0.907 483 L CB 0.418 42.440 42.059 -0.063 0.000 1.164 483 L HN 0.580 nan 8.230 nan 0.000 0.482 484 C N 1.549 120.852 119.300 0.005 0.000 2.707 484 C HA 0.657 5.113 4.460 -0.006 0.000 0.313 484 C C 0.581 175.599 174.990 0.047 0.000 1.209 484 C CA -0.735 58.317 59.018 0.057 0.000 1.635 484 C CB 1.968 29.825 27.740 0.195 0.000 2.206 484 C HN 0.818 nan 8.230 nan 0.000 0.485 485 T N 0.321 114.892 114.554 0.028 0.000 2.943 485 T HA 0.848 5.194 4.350 -0.006 0.000 0.284 485 T C -0.944 173.728 174.700 -0.047 0.000 1.015 485 T CA -0.514 61.580 62.100 -0.011 0.000 1.042 485 T CB 0.866 69.715 68.868 -0.031 0.000 1.055 485 T HN 0.335 nan 8.240 nan 0.000 0.500 486 L N 1.275 122.430 121.223 -0.114 0.000 2.388 486 L HA 0.725 5.062 4.340 -0.006 0.000 0.264 486 L C 0.034 176.780 176.870 -0.207 0.000 0.998 486 L CA -0.889 53.803 54.840 -0.246 0.000 0.817 486 L CB 2.198 44.070 42.059 -0.312 0.000 1.338 486 L HN 0.594 nan 8.230 nan 0.000 0.414 487 R N 1.107 121.464 120.500 -0.239 0.000 2.795 487 R HA 0.602 4.939 4.340 -0.006 0.000 0.275 487 R C -2.667 173.536 176.300 -0.162 0.000 0.981 487 R CA -2.235 53.757 56.100 -0.180 0.000 0.917 487 R CB 1.853 32.052 30.300 -0.169 0.000 1.202 487 R HN 0.243 nan 8.270 nan 0.000 0.469 488 P HA 0.088 nan 4.420 nan 0.000 0.269 488 P C -0.289 176.992 177.300 -0.033 0.000 1.215 488 P CA -0.156 62.911 63.100 -0.056 0.000 0.780 488 P CB 0.588 32.283 31.700 -0.008 0.000 0.898 489 R N 2.151 122.642 120.500 -0.015 0.000 2.590 489 R HA 0.354 4.690 4.340 -0.006 0.000 0.274 489 R C 0.170 176.502 176.300 0.054 0.000 1.061 489 R CA 0.783 56.890 56.100 0.012 0.000 1.081 489 R CB -0.555 29.760 30.300 0.024 0.000 0.984 489 R HN 0.762 nan 8.270 nan 0.000 0.448 490 G N 3.856 112.702 108.800 0.076 0.000 2.587 490 G HA2 -0.233 3.724 3.960 -0.006 0.000 0.274 490 G HA3 -0.233 3.724 3.960 -0.006 0.000 0.274 490 G C -0.655 174.397 174.900 0.252 0.000 1.046 490 G CA 0.255 45.433 45.100 0.130 0.000 1.308 490 G HN 0.981 nan 8.290 nan 0.000 0.529 491 W N 0.000 121.295 121.300 -0.009 0.000 2.388 491 W HA 0.000 4.656 4.660 -0.006 0.000 0.303 491 W CA 0.000 57.340 57.345 -0.009 0.000 1.226 491 W CB 0.000 29.456 29.460 -0.006 0.000 1.126 491 W HN 0.000 nan 8.180 nan 0.000 0.535